#METABOLOMICS WORKBENCH efahy_20230425_000071 DATATRACK_ID:3968 STUDY_ID:ST002649 ANALYSIS_ID:AN004321 PROJECT_ID:PR001020
VERSION             	1
CREATED_ON             	April 25, 2023, 7:56 am
#PROJECT
PR:PROJECT_TITLE                 	Molecular Transducer of Physical Activity Consortium
PR:PROJECT_SUMMARY               	MoTrPAC is a national research consortium designed to discover and perform
PR:PROJECT_SUMMARY               	preliminary characterization of the range of molecular transducers (the
PR:PROJECT_SUMMARY               	"molecular map") that underlie the effects of physical activity in humans. The
PR:PROJECT_SUMMARY               	program's goal is to study the molecular changes that occur during and after
PR:PROJECT_SUMMARY               	exercise and ultimately to advance the understanding of how physical activity
PR:PROJECT_SUMMARY               	improves and preserves health. Preclinical and clinical studies will examine the
PR:PROJECT_SUMMARY               	systemic effects of endurance and resistance exercise across a range of ages and
PR:PROJECT_SUMMARY               	fitness levels by molecular probing of multiple tissues before and after acute
PR:PROJECT_SUMMARY               	and chronic exercise. This program is the largest targeted NIH investment of
PR:PROJECT_SUMMARY               	funds into the mechanisms of how physical activity improves health and prevents
PR:PROJECT_SUMMARY               	disease. The MoTrPAC program is supported by the NIH Common Fund and is managed
PR:PROJECT_SUMMARY               	by a trans-agency working group representing multiple NIH institutes and
PR:PROJECT_SUMMARY               	centers, led by the NIH Office of Strategic Coordination, National Institute of
PR:PROJECT_SUMMARY               	Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes
PR:PROJECT_SUMMARY               	and Digestive and Kidney Diseases, National Institute on Aging, and National
PR:PROJECT_SUMMARY               	Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee:
PR:PROJECT_SUMMARY               	Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion
PR:PROJECT_SUMMARY               	Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac
PR:PROJECT_SUMMARY               	Bioinformatics / Data Coordination Center.
PR:INSTITUTE                     	MoTrPAC
PR:LAST_NAME                     	Ashley
PR:FIRST_NAME                    	Euan A.
PR:ADDRESS                       	300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA
PR:EMAIL                         	euan@stanford.edu
PR:PHONE                         	(650) 498-4900
#STUDY
ST:STUDY_TITLE                   	MoTrPAC: Endurance exercise training study in young adult rats, Rat Heart Powder
ST:STUDY_TITLE                   	- Untargeted HILIC-Positive
ST:STUDY_SUMMARY                 	The goal of the endurance exercise training study in young adult rats (internal
ST:STUDY_SUMMARY                 	code: PASS1B-06) was to perform exercise training studies in adult (6 month)
ST:STUDY_SUMMARY                 	F344 rats, and from these rats collect as many tissues as feasible in order to
ST:STUDY_SUMMARY                 	provide high quality samples for detailed analysis by chemical analysis sites.
ST:STUDY_SUMMARY                 	Tissues were collected from 10-12 rats sedentary control rats concurrent with
ST:STUDY_SUMMARY                 	the collection of the 8-week training groups. The 8-week training group and
ST:STUDY_SUMMARY                 	controls were from the same cohort and same age at euthanasia (either 8). For
ST:STUDY_SUMMARY                 	the older age group, an additional set of controls (n=5-6) were collected with
ST:STUDY_SUMMARY                 	the 1-2 week training group. Rats were either sedentary or underwent an exercise
ST:STUDY_SUMMARY                 	training program. Rats were exercised on the rodent treadmill 5 days per week
ST:STUDY_SUMMARY                 	using a progressive training protocol designed to exercise the rats at
ST:STUDY_SUMMARY                 	approximately 70% of VO2max as outlined in the Table on the next page. Training
ST:STUDY_SUMMARY                 	was performed no earlier than 10:00 am and no later than 5:00 pm over 5
ST:STUDY_SUMMARY                 	consecutive days per week. Training was initiated with the treadmill set at 70%
ST:STUDY_SUMMARY                 	of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of
ST:STUDY_SUMMARY                 	exercise was increased by one minute each day until day 31 of training (start of
ST:STUDY_SUMMARY                 	week 7), when a duration of 50 min was reached. Speed and grade of each training
ST:STUDY_SUMMARY                 	session increased in larger increments due to treadmill parameters. The highest
ST:STUDY_SUMMARY                 	intensity and duration of training began on day 31. This intensity was
ST:STUDY_SUMMARY                 	maintained for the final 10 days of the protocol to ensure steady state had been
ST:STUDY_SUMMARY                 	achieved. If any rats were unable to perform at least 4 days of training per
ST:STUDY_SUMMARY                 	week they were removed from the study and euthanized. It is important to note
ST:STUDY_SUMMARY                 	that the starting treadmill speed varied depending on the sex and age of the
ST:STUDY_SUMMARY                 	rat. The initial and maximum speeds were based on VO2max measurements obtained
ST:STUDY_SUMMARY                 	during the pre-training testing of the compliant rats. Rats assigned to the
ST:STUDY_SUMMARY                 	control group followed a schedule similar to the training group. They were
ST:STUDY_SUMMARY                 	placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The
ST:STUDY_SUMMARY                 	treadmill was set at 0 m/min at an incline that corresponded to the incline
ST:STUDY_SUMMARY                 	being used by the training group.
ST:INSTITUTE                     	Broad Institute
ST:DEPARTMENT                    	Metabolomics Platform
ST:LABORATORY                    	Clish
ST:LAST_NAME                     	Clish
ST:FIRST_NAME                    	Clary
ST:ADDRESS                       	415 Main St, Cambridge, MA 02142
ST:EMAIL                         	clary@broadinstitute.org
ST:PHONE                         	(617) 714-7654
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA01	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0149m_MoTrPAC_PASS1B_HP-PREFA01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB01	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0149n_MoTrPAC_PASS1B_HP-PREFB01.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0149o_MoTrPAC_PASS1B_HP-Sed01-HEA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0149p_MoTrPAC_PASS1B_HP-Sed02-HEA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE01	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0149q_MoTrPAC_PASS1B_HP-IPE01-HEA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE02	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0149r_MoTrPAC_PASS1B_HP-IPE02-HEA.raw
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217015806	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0150_MoTrPAC_PASS1B_HP-90217015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218015806	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0151_MoTrPAC_PASS1B_HP-90218015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222015806	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0152_MoTrPAC_PASS1B_HP-90222015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223015806	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0153_MoTrPAC_PASS1B_HP-90223015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225015806	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0154_MoTrPAC_PASS1B_HP-90225015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227015806	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0155_MoTrPAC_PASS1B_HP-90227015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229015806	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0156_MoTrPAC_PASS1B_HP-90229015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232015806	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0157_MoTrPAC_PASS1B_HP-90232015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237015806	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0158_MoTrPAC_PASS1B_HP-90237015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239015806	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=0159_MoTrPAC_PASS1B_HP-90239015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245015806	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0160_MoTrPAC_PASS1B_HP-90245015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248015806	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0161_MoTrPAC_PASS1B_HP-90248015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251015806	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0162_MoTrPAC_PASS1B_HP-90251015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252015806	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0163_MoTrPAC_PASS1B_HP-90252015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254015806	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0164_MoTrPAC_PASS1B_HP-90254015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258015806	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0165_MoTrPAC_PASS1B_HP-90258015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259015806	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0166_MoTrPAC_PASS1B_HP-90259015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265015806	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0167_MoTrPAC_PASS1B_HP-90265015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266015806	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0168_MoTrPAC_PASS1B_HP-90266015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267015806	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=0169_MoTrPAC_PASS1B_HP-90267015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA02	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0169a_MoTrPAC_PASS1B_HP-PREFA02.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB02	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0169b_MoTrPAC_PASS1B_HP-PREFB02.raw
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280015806	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0170_MoTrPAC_PASS1B_HP-90280015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281015806	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0171_MoTrPAC_PASS1B_HP-90281015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283015806	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0172_MoTrPAC_PASS1B_HP-90283015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289015806	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0173_MoTrPAC_PASS1B_HP-90289015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292015806	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=0174_MoTrPAC_PASS1B_HP-90292015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406015806	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0175_MoTrPAC_PASS1B_HP-90406015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410015806	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0176_MoTrPAC_PASS1B_HP-90410015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412015806	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0177_MoTrPAC_PASS1B_HP-90412015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416015806	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0178_MoTrPAC_PASS1B_HP-90416015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420015806	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=0179_MoTrPAC_PASS1B_HP-90420015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421015806	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0180_MoTrPAC_PASS1B_HP-90421015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422015806	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0181_MoTrPAC_PASS1B_HP-90422015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423015806	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0182_MoTrPAC_PASS1B_HP-90423015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426015806	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0183_MoTrPAC_PASS1B_HP-90426015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430015806	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=0184_MoTrPAC_PASS1B_HP-90430015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439015806	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0185_MoTrPAC_PASS1B_HP-90439015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441015806	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0186_MoTrPAC_PASS1B_HP-90441015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444015806	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0187_MoTrPAC_PASS1B_HP-90444015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449015806	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0188_MoTrPAC_PASS1B_HP-90449015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450015806	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=0189_MoTrPAC_PASS1B_HP-90450015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA03	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0189a_MoTrPAC_PASS1B_HP-PREFA03.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB03	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0189b_MoTrPAC_PASS1B_HP-PREFB03.raw
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559015806	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0190_MoTrPAC_PASS1B_HP-90559015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560015806	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0191_MoTrPAC_PASS1B_HP-90560015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564015806	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0192_MoTrPAC_PASS1B_HP-90564015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567015806	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0193_MoTrPAC_PASS1B_HP-90567015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571015806	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=0194_MoTrPAC_PASS1B_HP-90571015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576015806	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0195_MoTrPAC_PASS1B_HP-90576015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578015806	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0196_MoTrPAC_PASS1B_HP-90578015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581015806	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0197_MoTrPAC_PASS1B_HP-90581015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585015806	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0198_MoTrPAC_PASS1B_HP-90585015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587015806	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=0199_MoTrPAC_PASS1B_HP-90587015806-HEA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0199a_MoTrPAC_PASS1B_HP-Sed03-HEA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_Sed04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0199b_MoTrPAC_PASS1B_HP-Sed04-HEA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE03	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0199c_MoTrPAC_PASS1B_HP-IPE03-HEA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_IPE04	Group:QC-Reference | Timepoint:0 hour | Sex:-	raw_file=0199d_MoTrPAC_PASS1B_HP-IPE04-HEA.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFA04	Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-	raw_file=0199e_MoTrPAC_PASS1B_HP-PREFA04.raw
SUBJECT_SAMPLE_FACTORS           	-	QC_PREFB04	Group:QC-Pooled | Timepoint:0 hour | Sex:-	raw_file=0199f_MoTrPAC_PASS1B_HP-PREFB04.raw
#COLLECTION
CO:SAMPLE_TYPE                   	Heart
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Tissue samples (10 mg) were homogenized in 300 µL of 10/67.4/22.4/0.18 (v/v/v/v)
SP:SAMPLEPREP_SUMMARY            	water/acetonitrile/methanol/formic acid containing stable isotope-labeled
SP:SAMPLEPREP_SUMMARY            	internal standards (0.18 ng/µL valine-d8, Isotec; 0.18 ng/µL phenylalanine-d8,
SP:SAMPLEPREP_SUMMARY            	Cambridge Isotope Laboratories) using a TissueLyserII bead mill (20 Hz, 2 X
SP:SAMPLEPREP_SUMMARY            	2min; QIAGEN). The samples were place in a -80?C freezer for one hour and then
SP:SAMPLEPREP_SUMMARY            	centrifuged for 10 min (9000g, 4?C). 100uL of each supernatent was transferred
SP:SAMPLEPREP_SUMMARY            	to a de-activated inserts within an autsampler vial (Waters).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Extracts (10 µL) were injected onto a 150 x 2.1 mm Atlantis HILIC column
CH:CHROMATOGRAPHY_SUMMARY        	(Waters). The column was eluted isocratically at a flow rate of 250 µL/min with
CH:CHROMATOGRAPHY_SUMMARY        	5% mobile phase A (10 mM ammonium formate and 0.1% formic acid in water) for 1
CH:CHROMATOGRAPHY_SUMMARY        	minute followed by a linear gradient to 40% mobile phase B (acetonitrile with
CH:CHROMATOGRAPHY_SUMMARY        	0.1% formic acid) over 10 minutes
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Shimadzu Nexera X2
CH:COLUMN_NAME                   	Waters Atlantis HILIC (150 x 2.1mm,3um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid; 10 mM ammonium formate
CH:SOLVENT_B                     	100% acetonitrile; 0.1% formic acid
CH:FLOW_GRADIENT                 	The column was eluted isocratically at a flow rate of 250 µL/min with
CH:FLOW_GRADIENT                 	5% mobile phase A for 1 minute followed by a linear gradient to 40% mobile phase B
CH:FLOW_GRADIENT                 	over 10 minutes
CH:FLOW_RATE                     	250 µL/min
CH:COLUMN_TEMPERATURE            	-
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_TYPE               	Orbitrap
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	High resolution, accurate mass data were acquired using a system comprised of a
MS:MS_COMMENTS                   	Shimadzu Nexera X2 U-HPLC (Shimadzu Corp.; Marlborough, MA) coupled to a Q
MS:MS_COMMENTS                   	Exactive hybrid quadrupole orbitrap mass spectrometer (Thermo Fisher Scientific;
MS:MS_COMMENTS                   	Waltham, MA). MS analyses were carried out using electrospray ionization in the
MS:MS_COMMENTS                   	positive ion mode using full scan analysis over 70-800 m/z at 70,000 resolution
MS:MS_COMMENTS                   	and 3 Hz data acquisition rate. Other MS settings were: sheath gas 40, sweep gas
MS:MS_COMMENTS                   	2, spray voltage 3.5 kV, capillary temperature 350°C, S-lens RF 40, heater
MS:MS_COMMENTS                   	temperature 300°C, microscans 1, automatic gain control target 1e6, and maximum
MS:MS_COMMENTS                   	ion time 250 ms. Raw data were processed using TraceFinder software (Thermo
MS:MS_COMMENTS                   	Fisher Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle
MS:MS_COMMENTS                   	upon Tyne, UK). The identities of 202 profiled metabolites were confirmed using
MS:MS_COMMENTS                   	reference standards.
MS:MS_RESULTS_FILE               	ST002649_AN004321_results.txt	UNITS:peak area	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	QC_PREFA01	QC_PREFB01	QC_Sed01	QC_Sed02	QC_IPE01	QC_IPE02	90217015806	90218015806	90222015806	90223015806	90225015806	90227015806	90229015806	90232015806	90237015806	90239015806	90245015806	90248015806	90251015806	90252015806	90254015806	90258015806	90259015806	90265015806	90266015806	90267015806	QC_PREFA02	QC_PREFB02	90280015806	90281015806	90283015806	90289015806	90292015806	90406015806	90410015806	90412015806	90416015806	90420015806	90421015806	90422015806	90423015806	90426015806	90430015806	90439015806	90441015806	90444015806	90449015806	90450015806	QC_PREFA03	QC_PREFB03	90559015806	90560015806	90564015806	90567015806	90571015806	90576015806	90578015806	90581015806	90585015806	90587015806	QC_Sed03	QC_Sed04	QC_IPE03	QC_IPE04	QC_PREFA04	QC_PREFB04
phenylalanine-d8	942775	958360	944365	955082	993003	1020971	939215	895324	970818	986062	957369	861348	1023244	998672	892013	856146	871204	840554	852052	903405	945794	895780	853818	857775	905207	930569	942775	932386	869871	958575	920201	894732	930401	934608	851334	874457	856834	872764	1069888	917380	1012786	979349	884890	948970	964208	886618	971358	903068	942775	924109	973242	987913	993885	1075236	920844	1065349	1089471	933766	1113913	1099745	1014101	1031826	869623	868892	942775	936006
valine-d8	477405	484979	483886	483135	529588	535784	492897	470373	505668	515434	518442	441766	512123	521486	473997	440295	448556	428837	443839	470273	510933	465465	439540	446025	485555	491169	477405	471423	435836	500949	470219	483626	489899	489027	483570	456816	464168	451738	538715	463696	497585	500175	453206	471595	453925	425191	481172	445680	477405	461735	500500	504547	517919	509131	440234	532099	546810	443159	548263	569463	499291	492639	448009	448156	477405	465558
1-methyladenosine	65316	64900	49776	50476	46353	43174	63365	51951	61475	60409	48977	65906	76505	67836	60819	49425	79750	70232	49369	54148	74366	51238	47770	46771	75862	62657	65316	64590	56787	54546	77094	54880	61663	63826	57284	47707	55355	48186	79578	68192	84498	66445	60048	63930	63201	69675	68386	69329	65316	66619	65642	70892	69001	77660	74825	88129	77303	67750	86316	65118	62963	63771	42365	41956	65316	65552
1-methylhistamine	1065482	941721	763717	711898	1496379	1521009	943163	1038405	1050598	1075668	1291206	1257095	1083464	1038307	932841	709323	1401944	823688	580158	901046	650638	908092	1073815	1160070	807859	726527	1065482	1031148	848146	1094678	762912	871874	1037181	767988	3524417	790857	662558	547537	1193109	1069104	1293530	974681	744461	815395	1947652	928340	934322	1039379	1065482	1063871	791676	1006257	905560	1042444	1026915	1044051	1106848	1024958	1126424	792272	1087252	1078429	724132	690622	1065482	1062318
1-methylnicotinamide	1157275	1168904	734220	738533	605452	603222	992723	1079436	1249293	1343445	1252610	1434769	1245231	1488634	1180753	1105779	1282167	827602	1014032	1006632	1349577	1340623	1167773	909648	1522751	1280680	1157275	1150576	935157	1300802	979568	944684	1201129	1044835	1067521	808043	1088998	950033	1234771	1029041	1323925	1255823	919432	1012867	1324208	1287413	1166822	1163850	1157275	1178200	896246	784960	1027548	1338998	1333916	1634324	1297233	990035	1621730	1066973	979364	956163	551658	556351	1157275	1140837
21-deoxycortisol	76149	79429	160982	154184	209785	232453	21386	60750	106223	54836	112133	166321	120268	73551	57239	67301	159968	120056	30501	32372	61720	26955	29666	44533	37547	100510	76149	69493	110346	121755	53145	75509	154402	133960	32889	132676	76942	37021	192919	175773	185727	91989	134028	56246	78299	102653	149351	156963	76149	80902	37585	35839	124654	87842	105988	105254	52659	40741	120364	21275	180011	176962	179176	168597	76149	74191
2-aminoheptanoate	15909	17509	20207	20963	18331	18809	10276	8842	9159	9462	11130	14205	13478	11896	11486	11139	15787	14475	12799	13730	15158	15609	20214	18951	23474	20158	15909	16112	17099	19249	19978	21086	14449	11633	11946	11748	11772	11083	16312	14152	16463	14178	13643	14610	15442	12540	17040	15007	15909	15430	16382	17966	17977	25794	26383	28808	23543	21692	23014	15789	24653	23360	16458	16083	15909	15157
2-aminoisobutyrate	2560180	2413495	1479818	1260950	1080520	1099004	1341809	1541100	1362336	1307464	1246673	1139801	2055358	1602639	958921	995079	5430575	3306987	3282998	4678371	4516734	1779235	1437621	1129515	4137091	1751419	2560180	2527210	1437745	1116025	1803906	1419628	1324682	2207776	4720410	1229914	1938285	1733082	1591870	1775393	1831166	1558643	1738236	1961888	1194019	2476937	1474283	1876603	2560180	2730732	4725067	3413522	5501478	5598794	4324131	7948934	4135343	4892236	4296796	3991232	1437522	1416249	853526	883836	2560180	2364900
2'-deoxyadenosine	18019	17575	22137	21702	32048	31220	24063	7018	5946	5511	9012	1716	12534	20341	4052	2357	4829	4383	9304	9889	6326	7354	7634	8078	3986	12211	18019	20519	8258	12868	4017	5383	8236	6158	679546	6859	5915	1146	6457	7185	6743	6347	2037	3940	5660	3293	1911	5716	18019	16120	7440	1490	4581	2910	7641	16189	3551	2061	7127	4310	29402	28546	31861	33356	18019	18887
2'-deoxycytidine	986105	988882	933119	926242	788395	810261	1113804	965032	1142762	1029634	957881	1094465	1172441	1099078	984624	958903	1009446	834577	728344	840061	945776	745033	869362	677412	973535	821677	986105	982484	882618	962772	1020245	941350	983363	880720	895627	714222	705090	671124	1171512	1119667	1275119	1017879	1068936	1050196	1314397	1162961	1102319	1074680	986105	1042183	950893	1025723	851815	956170	1128667	1141583	1021118	964515	1071124	793859	1115477	1119505	743962	732616	986105	960876
3-methylhistidine	296730	301528	331428	328968	282579	278755	346872	422928	409011	489494	370706	476721	552040	439857	316832	279555	245102	212372	178421	184586	247600	160712	194159	149637	236524	199304	296730	301100	354793	367150	438183	315370	342357	208159	81536	183914	169510	146344	403635	418405	419123	286039	316313	347144	488751	396153	396852	395188	296730	300644	215501	227529	236764	247725	237548	274557	249829	226669	297152	198190	467373	464131	253982	249969	296730	304032
4-acetamidobutanoate	19974	21500	21401	20354	21368	21480	19661	18571	18745	20704	19297	19886	23009	23399	15275	14137	18026	19844	15591	18342	17774	16974	16851	17395	17413	19762	19974	19737	15877	15421	16660	15883	15713	16652	68117	14810	16585	16092	17217	17130	19267	18261	16471	16218	16851	17815	17364	17263	19974	20083	19118	19268	20004	23388	20518	20739	21807	22463	23530	21968	23618	24116	22890	20873	19974	21035
4-guanidinobutanoate	106184	106915	127441	127741	109251	109209	93787	69376	125204	130711	98355	186018	153179	88274	114016	80198	136068	142880	69061	99762	140551	116143	149304	129033	161774	173916	106184	102846	70731	107406	63603	78757	103761	123886	201585	100095	76820	77307	106200	85577	106819	72897	82075	66246	90312	78293	84267	73870	106184	102107	89586	97047	73446	117591	100691	87604	125986	57526	118037	69715	162428	165738	102275	103959	106184	104336
5-hydroxytryptophol	9254	8870	10533	9287	10187	10208	8484	3188	12041	14356	10149	16397	16050	13614	9549	10161	15067	18678	6744	9710	16768	12828	11516	16017	17229	13802	9254	7768	12226	13447	18110	15844	12864	14165	9409	13229	15429	11004	16698	12822	11337	9138	15195	16357	17800	14680	15026	17077	9254	8342	14898	13701	15329	16723	16155	15670	17080	12845	21989	12821	12417	15646	12218	11632	9254	9960
5-methylcytidine	261682	262920	231737	234135	211355	206717	266117	239246	282392	274278	244682	278427	287659	273663	254146	271073	289834	263504	216386	253574	264462	208096	236169	217165	291407	241117	261682	254492	250340	239728	256408	240995	239861	233176	274627	221450	232479	214016	300395	275878	301958	247213	263266	264867	324789	260235	284585	277046	261682	274652	249983	261920	252751	282832	283291	315229	282606	254354	295875	218338	295537	303018	209311	202691	261682	249278
5-methylcytosine	207918	217480	104738	103309	86514	88382	122448	154834	211664	229889	173126	244573	146426	147265	114396	94800	328951	240796	226781	225586	326184	246809	301667	228432	335585	289409	207918	200219	180170	143194	109361	128559	137363	220731	229592	208624	206689	190435	163113	108434	171123	104441	123209	89665	203472	134944	178699	112348	207918	215490	241571	302797	220000	341379	278931	354163	308714	248116	332396	181117	146149	149442	64525	65989	207918	199653
7-methylguanine	23082	21502	14512	15889	14857	15774	16075	15097	18644	17347	14056	22175	22374	18244	16044	12056	29933	20531	18197	21341	28230	17004	19644	15366	25925	21839	23082	23440	14645	15462	16145	13430	16992	21844	54547	15592	16964	14477	21168	17474	23340	15369	13311	14583	18667	17276	20710	18569	23082	22812	20545	21354	23371	34349	27244	36896	25261	25143	33587	19146	22617	21329	14576	15690	23082	23087
acetylcholine	2395164	2438394	1972731	1951447	1925512	1828139	2884703	3115525	2470906	1751315	2511783	2319226	2883750	4038724	2901281	2530611	4674545	2178930	1667403	2605248	2509210	3803839	3216474	2001058	2790993	2139312	2395164	2341937	1455746	1717927	1838451	1883035	1157281	1894973	2327170	1846152	1043491	1009035	1712062	1376583	2342740	2182179	819947	1468925	3451387	1120890	2217239	1238152	2395164	2323697	2352446	2908568	4507526	4500003	2737397	2799345	2641653	4000626	3205809	2557998	3058859	3031046	2233911	2202774	2395164	2390424
acisoga	5828	6387	11312	11109	10618	10332	5517	3541	4531	3853	3224	3538	6818	6282	6159	3395	9645	6845	6104	6938	11210	4750	5621	4397	8607	6341	5828	6686	4950	4392	5969	4616	5296	6806	10037	5463	4874	4686	4588	4407	5349	3681	3281	3487	4984	5359	5224	4706	5828	5344	7421	6409	5681	9797	9701	8305	6782	9162	10873	5911	16308	17561	9760	9792	5828	6063
adenosine	17774170	17631425	14507047	14540343	21130792	20650703	15825613	14266724	15124759	7937125	16005824	12000107	16129988	28450972	14275004	10481297	25994841	12806978	31512899	16493659	10056452	11362733	18027851	15271874	12267807	31172830	17774170	17377489	30750743	22580033	10118565	10378669	35063287	19525663	15908968	24003621	26089722	7350028	24326024	21705671	16139308	19650896	6849844	12284710	20924975	28311752	13855646	20712860	17774170	17942517	15618894	7218486	10785071	7917506	19706694	21068515	15503898	8612193	19713529	12912721	18103858	17911809	18254556	17949375	17774170	17703546
ADMA	89072711	88040835	88193528	86621018	66497836	67716107	68628879	78284781	80319931	79911382	67406028	92644007	106934978	102195325	78834812	61700410	116994534	92362717	69825253	91816886	103756777	66281459	88992778	65712513	116299495	76499977	89072711	87346038	63652517	70218254	85100020	68570012	70184483	85873193	36847261	73648943	73977740	70576112	94021236	81141314	106064592	67835841	76750982	90001049	98107719	98197114	104911643	93423895	89072711	88241468	85567664	100760967	91548619	125581043	116360159	121730129	126057421	98548498	123805955	82885048	124363414	128165979	59405975	59605888	89072711	88465339
ala-ala	2494	2706	2954	2769	2757	3082	1721	1597	1357	1487	1420	1665	1532	1176	2123	2086	1973	1879	1850	1803	2566	2647	4498	3334	4131	3661	2494	2596	3578	4120	4180	4255	2155	1848	1060	1524	1084	1537	1205	1575	2667	1853	1902	2563	1505	1408	2541	2224	2494	2146	2341	2325	2888	3444	2998	2763	2924	3369	3087	3008	2899	3171	2691	2650	2494	2513
alanine	1018019	1006649	896880	889594	728885	717905	1561248	1086487	1215040	1010734	1007687	1339886	1468525	1218435	826604	856665	1492660	1025440	950489	1122621	1343508	1022439	1001924	1027512	1165559	1042728	1018019	1037275	944889	906916	879279	817354	840135	876045	945198	903192	912011	771282	1052617	1101281	1159984	819565	697641	845594	1035263	810834	1140815	873685	1018019	1027397	1227336	940831	861525	993825	951011	1778184	977137	858450	1202683	698003	1141160	1163262	732357	727305	1018019	1005365
allantoin	141767	139285	158180	162703	196137	193144	126460	133564	163041	132478	141825	177993	171834	151789	127353	103754	166604	145831	113620	128651	178295	136715	146953	127924	159361	145133	141767	146527	119897	138352	130225	116314	135184	149676	106520	128609	128194	102690	140797	140400	177566	121608	117387	114457	160067	144688	148922	125873	141767	148766	159816	163425	158085	182022	186745	172264	168007	156286	184631	125930	206134	193558	169399	176223	141767	139695
alpha-glycerophosphocholine	18852258	19158970	16011347	15951012	13187342	12997783	16894699	19453484	20763908	21104606	17585186	26429518	21325146	21473013	17077542	16107865	22184533	18051771	14012898	16455905	18940077	17010411	22424111	18301368	23872838	18510439	18852258	18801855	13376882	17808818	16498065	16128415	14286004	17440569	16352628	19360826	15090435	13275180	17680427	16817600	24068873	15399033	16305365	16853532	23886103	15979649	19852141	18853980	18852258	18963967	16988163	20597955	18766274	22036602	20622656	24586617	21636179	21662699	24858752	17627740	22092832	22309816	11724404	11128557	18852258	19115610
anserine	1232009	1226871	1149579	1153200	905295	896139	1099861	1347631	1357256	1270159	1108822	1491786	2149745	1470081	1275590	1292324	1388043	962206	722247	976732	1040241	834587	1050058	845182	1351761	910322	1232009	1238939	1392952	1393854	1395467	1257115	1159385	1071860	299856	1032913	874957	767436	1491731	1290317	1787763	1079703	1195376	1213935	1550605	1386267	1648181	1556102	1232009	1226188	963900	1216088	1073075	1313835	1258901	1330943	1327499	1050708	1443249	880434	1696189	1708261	840000	817315	1232009	1222411
arachidoyl ethanolamide	13460	13871	12763	10468	11059	13032	10672	2847	13530	23197	1493	12323	12266	25175	10913	2398	5665	10424	3351	5332	11857	8883	5949	8911	1372	12684	13460	8987	14294	11788	4544	5494	10868	16363	8020	7318	6438	5799	14609	11185	21983	11596	3874	1121	3634	6674	12552	7169	13460	14168	12137	10571	14060	184341	8793	13590	14643	nan	17661	18709	9643	12551	12775	13690	13460	10284
arginine	7860018	7921047	6980551	7046208	5964806	5792955	5572715	8855885	9942067	9561866	8524854	9660186	8310256	7579688	6751452	5534952	8956720	6503093	7114558	5886210	9585196	8655724	9032787	6624950	7539850	10194974	7860018	7975108	7919265	8681406	7677638	6678825	6916724	8633050	3474482	7885416	8004930	7282652	7164199	7322446	8406076	7140757	7345204	7460842	9299721	8148887	8275819	7372304	7860018	8042919	7174733	6734406	8677363	8790669	8559966	9293895	9494170	8096028	10352728	8729558	9285720	9219800	5612171	5630522	7860018	8074871
asparagine	379506	383944	314758	318856	273156	269900	261950	365171	434596	412503	383652	447852	388985	347340	326527	261663	460696	365993	410310	350594	484136	415443	451247	345031	482111	457202	379506	379989	315417	345441	341270	319951	356164	404209	241361	385029	410406	347993	350577	319479	363165	310005	298140	330569	412502	345573	401964	329607	379506	379436	320451	369137	379515	484269	389080	458840	532038	388786	549579	419537	433395	432718	250650	248580	379506	381256
aspartate	663185	682327	646232	640227	290074	283324	655312	594533	678392	585905	441845	518085	610682	782956	508398	406716	852339	897267	1075128	1060458	781611	529687	576312	753239	839848	719586	663185	665870	736980	547456	842615	535481	802952	632063	288347	343983	713001	600502	874533	657024	575154	584898	456380	858214	693850	813651	630572	673789	663185	670731	553096	546837	628344	552790	461842	1088044	907065	651731	647441	713369	815190	813315	246226	242064	663185	654156
beta-alanine	30278629	31350756	28045213	27592230	22506800	23177417	43588054	32483024	35181050	31295126	31697909	41459357	46574126	36173911	26043448	26324013	39421886	28529107	24726215	29757327	33856077	26478623	29467879	28103941	32804523	27732988	30278629	30670278	28043118	26169011	26103227	24941387	26045658	25535890	35284501	26188092	24603253	21356799	31197661	33244919	36808375	24007059	23782033	26491388	31679407	24406670	33203472	28508978	30278629	30498442	30959176	29640038	24895812	30751763	31756845	47085380	30479384	26503541	35767977	22889466	32873166	34177484	22301617	21032098	30278629	31430383
beta-guanidinopropionate	167671	176809	179853	174182	131972	132825	143156	104676	146676	138755	118306	158375	193895	194439	137491	141193	238238	187949	131493	187563	174977	133998	154384	165956	254790	160534	167671	164950	149966	128622	135820	132440	141995	183041	165650	183988	174824	161946	164390	139138	159594	112905	123052	127699	177096	158565	161168	125007	167671	169519	206986	215419	193870	198378	190158	246377	239270	176741	242198	199448	204032	204349	127148	126499	167671	168094
betaine	29426321	29408184	25974605	25700444	21590398	21388314	26498243	24267607	30247620	27421775	25717891	31470993	26951123	24386993	23846798	22050434	32506741	29181496	27248535	26270018	35430230	33410762	38814994	27158310	28765118	35173074	29426321	29249957	19654295	23889363	22507705	20882890	25481891	31603753	30458563	29721530	27131967	27513729	24900897	25552656	33697940	22672442	23547818	24972450	33549060	30392385	28710695	27948302	29426321	29563837	27710155	35855366	28332118	35452618	36616866	32407590	35343797	34394543	39308204	24826784	32809851	32765620	21206997	21175518	29426321	29579599
bilirubin	5454	2901	5352	3806	nan	nan	nan	2770	4163	8185	7187	8932	12963	6001	9525	3461	19591	5758	5747	10487	18913	nan	9428	8436	20110	5907	5454	7975	2273	nan	5195	2953	3154	18955	2004	6360	6831	1753	4618	4520	nan	nan	2466	7216	10339	18870	nan	10995	5454	2426	5317	2022	10648	9817	6820	11585	5702	8190	16779	1273	5432	6746	1314	3926	5454	4532
biliverdin	5077947	5179847	5307228	5152249	5104517	5197446	5587083	4525483	6647717	6301964	4994338	7876716	7893972	6898408	5805626	3848764	4907931	4276450	3385666	4915926	4863187	3893855	3795338	3948639	3922746	5101934	5077947	5018827	5185952	5567864	4226311	4719695	4943074	3651329	3477316	3890515	4784846	3888905	5356279	4922580	5775486	4955454	4629759	4372164	5649696	5099369	6599507	6003031	5077947	5295662	4666393	4069868	4458557	4755925	4387740	5785623	5101394	4159873	6928896	4668391	6113523	6116276	4552374	4444176	5077947	5078074
butyrobetaine	4069998	4116731	4119357	4189817	3721786	3691047	3348978	3857397	4480172	4441606	4074620	5052670	3944867	3805330	3572025	3364487	4545131	3854509	4430059	4314692	4211081	4291410	4519261	3863449	4487414	4672656	4069998	4047506	3366566	3932521	3570730	3231004	3725555	4386168	4898921	4076192	3922308	3804339	3535577	3228131	4200033	3205042	3093207	3116886	3694889	3388648	4157245	3580444	4069998	4117802	4724479	3979320	4456408	4569327	5063375	5215783	4812164	4232483	5473233	4249610	4749393	4839703	3560750	3567452	4069998	4074151
carnitine	167936339	168630520	153874189	155644612	136882812	134261914	147122305	162729118	171957121	172345739	158800880	177475900	165943847	165904155	159445675	144443971	163099661	163899532	157951561	146668511	171107806	158517530	170503140	150675403	169786095	171583162	167936339	166625043	163583783	163412136	171462473	163506253	170559982	165901173	158054684	165267143	166169665	157912962	175267176	167872520	179463211	165384385	169618633	172238557	179006117	178482274	178614650	179128994	167936339	168136073	157554297	172406913	163751551	178341456	176399672	171080711	173751832	168608205	174988072	159755348	171382123	173457081	132461375	133526400	167936339	168418964
C2 carnitine	112041593	112284137	188950540	185188620	183423663	185596803	149060023	133590864	134978460	126945022	142552264	149081227	157956223	146797252	135150963	145986801	149336264	79232860	72612361	100820003	128403470	125123149	103101314	104966820	97402775	96218007	112041593	112199399	92686815	123473490	86755931	104146094	91073226	78311781	112800766	96964369	71752803	41064899	105704217	129213402	155023319	94942803	108345096	64120701	133184559	111096050	134752897	103483116	112041593	112368539	111805096	75606420	82078723	53521593	83293398	135101827	80465829	63921876	109262537	53455621	205845834	205717671	178077077	178566472	112041593	111424032
C3 carnitine	3602995	3621329	7880996	7957107	9225789	9425361	8474844	4629349	3578769	3216347	4373442	4916904	5415950	6007387	1736440	4782341	3214658	2083683	3908866	6113965	4347838	6027093	2669094	5484579	3020451	2838791	3602995	3558111	2660718	3727816	2615613	3521803	2343426	2065173	4919219	2925547	3093241	1673492	3421842	4853352	4838373	2394907	2314986	2211376	3871294	2552512	4170189	3697354	3602995	3549275	5070280	1639189	2845322	1372027	2412442	8228251	2020203	1807040	3930946	1784796	8759405	8892616	9681756	9681059	3602995	3558780
C3-DC carnitine	338286	342217	404660	408224	335447	327859	313506	354148	390447	392185	336512	451104	426140	412833	320577	255102	356722	274264	289879	275404	374309	304381	343998	237532	312817	302701	338286	338444	293224	348204	355010	319347	326231	294402	203332	285606	314690	237908	375755	341894	457559	323615	340338	312723	440940	381872	420711	355469	338286	340678	292722	340957	313784	363654	353943	405493	378785	301584	388677	287775	549612	548825	285887	297711	338286	327587
C3-DC-CH3 carnitine	4820378	5017339	7195620	7169332	6172277	6070623	4013041	4904523	5446133	5489104	4365940	6142812	5889566	5469245	4398293	4008999	5141204	4446732	3864369	3990413	5339183	4260785	5131240	3745212	4796437	4768802	4820378	4783563	4879583	4764215	5114064	4579030	4070543	4195987	3081352	4182168	4547048	4003781	5166273	4651830	6230666	4045730	4728495	4300946	6036096	5277113	6093117	5277821	4820378	4719383	4097721	5548092	4483045	5487406	4993615	5486637	4727714	4946856	5762763	3673913	10014570	10030873	5493164	5369570	4820378	4734124
C4 carnitine	2144685	2144893	10152713	10250699	15951082	16068764	4399121	2002089	2327369	2474254	3012270	2077369	4242444	3665699	3022570	4466939	2756717	1503753	1640246	2041976	2070438	1915091	1600137	2418041	1839766	1148148	2144685	2193437	1759286	2207401	1333773	1894285	1661270	1617017	2221687	1502923	1717959	966168	3065738	2847208	4014171	1609991	1843460	1082799	2240428	1729607	2272393	1964754	2144685	2159095	2380481	1491728	1732180	1366117	1408575	3729904	1492342	1358656	2488061	1103422	11884077	11918509	15042773	14922288	2144685	2124682
C4-OH carnitine	1680356	1743505	7218799	7093933	13585547	13292762	8464807	1292577	1314575	953062	1154307	1041640	2760037	2131729	1373880	1975031	2630957	1480973	3615137	6226229	1861941	1447960	707340	1933585	2006852	783678	1680356	1670272	669723	832237	1453830	1051890	822039	574281	1729766	535577	766076	1081916	1732942	1790541	1334912	676280	976663	1188761	1343854	989038	1484120	1027754	1680356	1671406	3285846	1497767	2056461	1177402	1294759	6201334	1410430	1483374	2286571	1127776	7439677	7369308	12747441	12860859	1680356	1586072
C5 carnitine	1133937	1139210	1737564	1703563	3030564	2952157	1106483	1011934	1724874	1397406	1159582	1630357	1451786	1251158	918147	1021913	1102345	698189	634194	596348	1034361	675256	1018089	626854	1132245	895221	1133937	1135718	1021760	1155786	1449289	894939	1087921	1121647	728371	1131251	938227	698544	1619249	1384983	1829873	1059797	1117913	1376539	1388448	1120662	1321936	1332232	1133937	1114144	856156	1085196	1151124	1628567	1192145	1121463	1099401	1434647	1596676	975611	2218587	2202667	2902803	2917059	1133937	1132588
C5:1 carnitine	86672	86748	168765	172222	383840	382214	118369	65273	126359	86876	85279	123740	103447	98292	62644	76338	130142	68590	64256	73933	101803	76811	96503	93555	106559	95985	86672	87918	67513	95182	60477	67178	71674	95524	86587	73033	90346	58313	96363	77070	118965	72063	65327	60152	104815	67077	79659	71473	86672	85882	99792	62161	71600	88167	76033	171707	112148	83718	141846	65556	221221	231085	381130	369690	86672	85236
C5-DC carnitine	11609	15104	24108	22022	23321	27043	8886	12545	7288	11943	8673	9311	13125	16573	12476	8795	9682	8832	5474	4568	15150	6910	14589	6267	8148	4409	11609	11342	12201	6373	10724	13811	8302	15072	8243	9108	10755	6239	17897	9487	24418	11951	16587	9768	13036	20987	25117	14100	11609	11911	13018	22791	12547	19984	18309	12522	21753	18059	22550	13550	32238	36233	20073	17926	11609	16063
C6 carnitine	147533	150738	178691	175587	433096	425586	146947	65596	120608	189392	88242	83876	172316	152837	267263	182156	124992	148800	202901	163366	200243	134117	127175	293315	143283	90845	147533	149788	277256	171763	241207	239164	233844	230247	239973	94689	253924	142691	347132	228409	168392	163996	164884	93818	140620	146424	139701	185296	147533	144255	131210	108561	116344	50896	84534	230807	115792	70198	166735	73101	207670	206322	435901	429651	147533	140607
C7 carnitine	21461	21061	33316	34634	61168	62318	25493	13825	25175	31441	17263	17824	30547	23296	27666	21390	19291	14374	14925	16746	21315	15561	18232	19327	18119	16503	21461	21042	25546	27646	21179	21789	27327	25217	20526	12330	15397	9723	55202	26490	31782	20750	22291	12939	27422	23205	24566	26303	21461	21380	22840	17825	16113	12950	18462	41382	22313	16754	29523	11530	48377	48078	66048	64696	21461	21224
C8 carnitine	260803	259998	172701	170341	239150	230173	250858	134736	268916	450560	153795	178971	370738	308875	529021	223408	205979	188375	191051	328434	303169	174665	301989	287175	314009	131874	260803	255984	345128	287820	286177	279037	271412	249939	266254	134380	219048	135539	560013	287546	428999	250377	392935	131726	331851	266648	352117	304506	260803	263405	231807	245214	176064	103943	166306	431056	234269	148702	306325	120382	239010	243679	209710	201168	260803	261495
C9 carnitine	282528	263883	219975	238972	276763	225800	247593	103962	294811	536452	154697	293877	396564	286662	405917	214405	184329	339196	88708	233779	486037	245254	382280	250693	322796	281825	282528	408798	473707	461257	464223	392186	357432	401248	336496	128725	272255	219595	836842	443141	525011	438524	534722	155058	377503	228578	418048	412217	282528	273115	287179	295736	249300	133593	226969	414313	304160	128389	292849	125120	340559	336820	249002	228080	282528	294155
C10 carnitine	473560	484765	316774	315870	340467	354472	530149	312900	674696	767237	336641	411218	607158	606813	1064503	452005	366384	258906	426683	869197	424743	311717	561087	532781	582914	245521	473560	472674	465360	484967	419201	516414	398698	361256	559520	257742	332470	337915	812764	410123	656252	428746	655136	198479	717291	333543	569179	482174	473560	456542	503983	523949	282390	182214	283378	676578	369228	261193	607639	240511	416262	430551	306010	312562	473560	462218
C12 carnitine	1099872	1113347	666601	659817	647692	654304	1333627	649602	1957254	1780103	753376	1232802	1350384	1321949	2147177	1006471	810856	550392	1059574	2516247	906208	739144	1613999	1196552	1303845	531040	1099872	1106255	836174	988199	834999	1158486	765679	726961	1385278	616566	652607	811027	1698595	701537	1475278	793071	1333382	395485	1781447	650402	1227972	1002565	1099872	1097524	1438365	1413207	571991	465468	592779	1569846	883677	648346	1617730	672270	922604	945307	608073	614660	1099872	1117390
C12:1 carnitine	345637	344776	205545	206684	207897	208455	413654	203670	596618	553040	210872	370849	379435	367825	762728	266837	260896	161997	319031	734604	301675	224955	489804	368351	424765	179835	345637	350783	262876	339461	299954	363884	233613	229311	458024	186456	212672	271820	529476	240940	450010	248532	448850	131240	610522	197957	379521	323283	345637	341560	456714	459855	192116	142639	215053	478233	287222	220297	526028	195461	321301	322383	211145	210205	345637	354367
C14 carnitine	3575827	3555350	2369892	2302190	2258499	2301320	3971045	2071529	6409750	5725442	2828715	4515207	4828150	4730781	6585817	3590867	2388320	1692184	3199563	7178051	2802310	2407213	5201989	4008415	3846833	1692531	3575827	3503008	2988463	3479552	2545186	4077712	2734322	2293810	3633168	1954794	1825238	2576159	5967474	2369705	5439804	2681731	4245366	1158797	5587689	2030820	4100465	3195249	3575827	3501727	4319430	4400717	1700235	1548460	1713448	4591862	2959002	2009174	5381524	2138094	3364424	3438111	2095734	2127287	3575827	3624285
C14:1 carnitine	1477173	1493797	956684	932277	955133	972643	1633851	853494	2527908	2255536	1093600	1791608	1782901	1704609	2956477	1227192	1036720	697008	1332930	3151786	1184012	1033711	2263621	1641507	1715904	728833	1477173	1449509	1191033	1372753	1001699	1476819	1060241	987035	1586948	849464	844894	1078007	2263887	988477	2092165	1041353	1718369	488046	2469743	834987	1659955	1297710	1477173	1470887	1964726	1965538	835027	690914	893454	2158523	1305581	993778	2475457	929872	1414796	1472260	891074	908071	1477173	1506235
C14:2 carnitine	620683	631244	362036	356931	347841	344808	516112	397018	858002	1045256	431325	587415	703574	708307	1258743	435420	407446	320885	475667	1016811	533358	382724	964214	626040	747265	314753	620683	621790	717229	681091	584533	657290	542036	482956	605692	366655	448659	475427	1170608	531740	1012018	580011	749077	251843	1040253	384431	822897	591198	620683	623333	662966	814048	356862	290051	372728	708026	614372	425762	929314	420799	590520	611672	319508	320267	620683	644500
C16 carnitine	11975959	11988816	7809319	7708994	7510616	7403202	9710063	6931012	22544316	19442570	13728902	14808682	16837471	17083598	23401812	20903176	7393466	5544228	7943741	17956158	7805355	6890450	15670608	12576831	8658422	4918725	11975959	11983446	10922999	15195740	8630035	19355442	10940836	6166491	10167749	6667916	4331867	7191445	17728166	7587304	23407885	10826254	22436734	4512166	19352538	6972223	17459093	15773330	11975959	11806403	11159737	11183021	5345965	4676371	4775955	9097737	6951685	5433333	11345312	5533145	9474010	9170682	6841514	6873608	11975959	11882691
C16-OH carnitine	816383	835387	811791	768391	830188	870814	894980	473144	1588592	1004980	813598	1295466	1147702	1146919	1430368	1153170	594737	285015	927148	1884154	509567	514267	912490	908706	541286	351736	816383	819005	820280	914091	453404	1021980	783546	407806	755617	405907	367342	534312	1221227	622980	1314585	580943	1319720	257057	1399259	627425	1137602	919567	816383	785112	1335740	811223	444527	242825	376972	1185592	438766	250084	1123310	234980	1011496	1042086	791291	785426	816383	796868
C18 carnitine	1487349	1522692	1330958	1307373	1427182	1440183	1755435	1071277	2362449	2469538	1720146	1274303	1916788	1674007	2206408	3169414	1019311	824937	1618475	2612100	1123249	1071619	1987697	1987213	1125544	745275	1487349	1441085	1155242	1630865	1219663	2399399	1254730	1170766	1926412	957250	923917	1422420	2258008	1297426	2669569	1222937	1640584	541289	1897781	867370	1827865	1462757	1487349	1442648	1648231	1599682	762461	544990	602051	1389784	1051591	733553	1393410	982137	1311832	1304839	1413852	1386756	1487349	1495343
C18:1 carnitine	4428076	4533496	3846770	3784004	4784531	4865592	4613719	2667084	8266012	6586516	5867281	5006004	5390333	5958150	10271299	9798224	2443584	1739001	3416156	8042524	2572467	3025413	5928919	6138425	2467887	1638781	4428076	4306501	4265654	6155728	2783913	8084037	4221191	2249941	4381254	2546955	1661172	3389632	5871377	2929290	7340059	3974764	8584184	1425968	6313466	2384036	5842252	5318463	4428076	4323128	4449018	3794608	1908184	1344940	1502592	3361628	2217067	1829940	3489648	2131069	4020748	4084669	4866092	4834264	4428076	4512834
C18:1-OH carnitine	724186	731350	911504	908153	1133782	1114405	887964	398702	1368082	843330	745182	1258996	986133	1016637	1353424	949003	529219	224674	772702	1769322	446930	486165	914723	957789	433466	295878	724186	734374	635466	847743	340921	890497	610362	318883	677098	363913	265095	471332	992411	525579	1167326	443887	1203613	204234	1356902	496698	1021554	803006	724186	738970	1149790	674876	398611	209333	349720	1182931	370433	234503	1098417	200060	1208374	1230802	1059523	1051204	724186	732242
C18:2 carnitine	7986126	7924831	6213992	6166635	7011836	7074895	6555507	4346524	15186255	12020426	10187567	10145187	10761583	11653091	19144348	15886794	3883797	2810554	4467208	12136562	4210998	4209941	10347706	8740948	4083058	2650657	7986126	7958020	8396392	13371004	5150330	14800752	8006080	3354078	6174284	4200226	2301182	4948722	11429521	5299688	16574355	7593888	16154743	2368568	13936797	3766921	12946060	11333365	7986126	7822331	6754062	6374415	2725577	2165388	2149013	4877478	3625986	2404099	5950834	2768424	7365643	7240976	6915998	6879229	7986126	8046293
C20 carnitine	121219	133431	156802	157266	159274	158548	268555	74947	232503	220301	119721	103307	256549	131552	121308	149369	80308	48382	116732	162871	80512	59323	124718	138967	75595	43837	121219	119073	103298	156953	130949	155912	107195	65553	98326	52315	48391	85696	321504	110501	233134	75145	117871	39057	156885	68192	105813	103088	121219	129480	160745	134718	59700	60043	85535	269474	85260	60054	177477	57045	168496	168677	129797	125802	121219	123049
C20:4 carnitine	544995	559880	258403	257971	201771	197419	273602	430889	1047113	1046723	379131	283582	799307	594270	591707	791776	514174	363629	400923	469330	528634	219803	749636	307686	451343	313155	544995	519064	424939	353064	532223	639508	472377	602881	674926	428067	422169	414066	980863	587365	803753	528685	684463	248206	894679	497381	478042	477362	544995	533523	758727	646832	286619	276923	270676	446266	548774	352913	753441	410854	282483	298731	159292	156986	544995	550224
C26 carnitine	30409	29193	12835	12105	17095	14927	20420	24976	32807	26702	20091	30967	29430	23076	23848	17881	27285	25545	14248	15249	37179	28233	37269	29196	31011	29637	30409	30124	29491	27496	22508	20102	30494	32007	16484	24730	24507	29265	38561	34506	38472	24552	27566	26974	37745	29127	28866	27580	30409	28740	19122	38551	24719	44599	37270	36675	49770	38863	48187	32143	23440	25057	14913	14243	30409	35024
carnosine	1697511	1757506	1327068	1318521	1139343	1133270	1637364	1673797	1608113	1674544	1574598	1932484	3099945	2034148	1838155	1742891	1930843	1417577	1063338	1393204	1453631	1113796	1479707	1229552	1898148	1228693	1697511	1694621	1676597	1993155	1858774	1776679	1671675	1562797	391648	1481828	1206781	1147654	2035923	1718860	2512613	1517944	1578755	1775304	2055327	1846235	2204863	2245864	1697511	1666396	1507759	1880699	1594912	1967930	1837159	2241050	2050147	1605455	2018531	1301249	1826661	1832543	1024020	1024388	1697511	1716682
cellobiose	194963	197716	nan	nan	nan	nan	nan	nan	nan	43706	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	192	nan	nan	nan	194963	189804	nan	nan	nan	nan	nan	nan	5057086	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	194963	206676	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	194963	195584
choline	5118042	5148872	2963026	2920628	2192742	2221747	5237618	4306263	5805972	4697986	3975295	5932362	4972709	5636068	4164588	3936440	4983065	5050172	4475388	3550728	4674788	4884715	4855198	4224115	5761139	5741800	5118042	5028249	4787800	3490503	4345828	3561759	6477380	5571477	7414214	4372007	5287488	5607246	5172692	4389551	4930161	4971615	4525505	5272282	4245085	5734808	4912218	4753120	5118042	5012437	4096935	4285082	5715041	6182430	5569348	5560082	7095765	5240427	6028033	4962184	3598930	3593011	1838695	1871145	5118042	5107116
citrulline	388550	406361	177271	170814	156379	163448	217886	239989	265449	226152	229521	242238	286569	234878	250170	234019	595053	447711	450865	482847	484766	419441	490272	485845	564670	461993	388550	389539	200762	275157	273870	258490	227541	495078	329539	480441	527626	477181	309607	255647	347761	260661	302157	264721	272755	308540	303017	289217	388550	402112	537371	551709	572902	771129	646957	552887	760705	593170	663001	569396	191885	195732	143196	151940	388550	378204
creatine	104995196	106096903	107802276	107636978	99396659	99470786	96242551	103229031	109811446	107796280	104059800	116782762	113711823	110181475	100140785	97050593	115399538	101900677	94127490	100757185	108987876	98262076	107105332	101359482	114093617	105655950	104995196	105394528	102988505	107691132	103785352	102682463	103734555	102884512	92464868	104572951	100786731	92619477	112925462	104813861	119105220	99467269	101400247	97794998	116318736	107058844	112865009	107377781	104995196	104759600	100316978	100969338	97905937	101961850	101516153	117624744	108203882	100116677	115924065	96119261	123985027	126006037	97061992	96231109	104995196	105976886
creatinine	2049244	2059366	2126405	2227581	2213528	2204388	1621075	1718019	2083659	2003332	2137273	2376854	2347056	2256165	1539146	1374261	1780579	1605920	1339932	1413206	1620405	1411886	1710151	1479835	2000325	1896831	2049244	1994621	1868257	2229040	1900499	1612588	1759036	1705957	3404015	1894847	1890175	1846680	2346663	1768639	2112675	1579077	1852066	1873491	2340419	2299327	2628144	2265625	2049244	2201501	1931743	2246801	2086334	2675872	2407577	2826793	2751767	2034354	2559445	1760138	2464084	2405000	1695827	1725832	2049244	2137948
cyclohexylamine	202941	202413	99841	111000	86544	84273	132981	161484	82028	47335	151322	25802	60805	72446	98845	935370	198658	291158	227985	168237	120673	214102	339296	194555	411576	255103	202941	194545	121433	97982	250302	679976	147784	120549	135910	382225	72792	139314	83752	90580	143473	113016	409168	144296	547764	217717	233766	128032	202941	210321	114275	161068	119926	90637	124606	111525	121221	253757	150263	132425	74345	70131	74020	73836	202941	203933
cytidine	907603	914623	643214	640633	716358	723771	867359	461998	590535	544904	533610	599299	666427	854095	336569	471306	998534	551167	797701	800920	640645	501439	414185	627392	709377	685475	907603	906994	748490	475633	344933	297275	1025654	649284	2460714	407625	721676	389172	816395	763253	616961	447215	322283	463482	461327	960819	401951	540026	907603	934115	771471	379245	728973	557892	696821	1379189	862027	435784	857180	396525	860919	822967	650802	657734	907603	902385
dimethylglycine	77337	76719	66187	66403	68055	68168	74463	61957	91033	77842	66573	91254	85218	87806	62753	59985	87773	70796	61282	75292	92322	57299	68214	68830	102041	73438	77337	75202	54329	73131	71188	62847	63974	70845	44516	54307	49572	54012	75172	77391	88334	66122	65657	76424	95978	77840	87727	82770	77337	76599	77977	73658	94092	110750	102016	114314	88300	100786	130559	77314	87246	86004	65283	64805	77337	75011
ectoine	42748	44238	74071	71756	63733	63320	35742	28418	29429	47197	35066	51250	39006	28536	30081	26630	32997	31654	25065	21082	31337	34864	46288	39773	32376	35598	42748	41238	11690	25364	26637	35458	45999	26618	54424	29884	21710	21577	38861	35241	47054	31409	32375	25774	44473	31363	38437	35715	42748	42137	65770	98789	55738	105826	86837	72213	91695	56446	85925	56304	93105	90013	54483	53286	42748	45370
GABA	2289607	2217422	3643753	3651074	3626018	3611174	2155013	2030993	2439795	1829856	2151648	1469724	2676470	1972194	1979898	2234430	2765196	3702541	3428972	2585632	2600806	4245705	2278459	3119019	2324906	2085176	2289607	2479455	2165367	2579147	2477533	2205687	2145161	2882931	5205610	2056093	2532088	2170806	2031960	2363854	1741627	2310702	2060581	1746422	1831690	1862131	1511935	2113340	2289607	2304553	2999248	2648435	2170470	2341120	2042237	2170779	1892313	2282864	1766983	2043516	3065038	3121439	3461315	3429637	2289607	2290937
glutamate	1878468	1873218	1643609	1632279	1687131	1693815	1403256	1844651	1768550	1737063	1907612	1462820	1467601	1535722	2061828	2072782	1545899	1716843	1921766	1650095	1869022	2283866	1904772	1888901	1678356	2038234	1878468	1877559	2054948	2160726	2030286	2407406	2047276	2363957	2181534	2236987	2261825	2388653	1694582	2030503	1628423	2396160	2104048	2048446	1543229	1707298	1432184	1773526	1878468	1864491	1981745	1885385	2251639	1915263	1872851	1235763	1793885	1793920	1759157	2418051	1298816	1299253	1683915	1678872	1878468	1837315
glutamine	28044910	27971453	23087318	23736308	21987406	21851145	23780190	28206183	32532142	31559079	25169932	32082864	31599138	29813430	25620044	24611007	32686891	28002735	25805803	28000849	29543101	24211137	27784471	23973365	33693594	29375338	28044910	28824976	24261037	26076414	28734893	24821031	26202944	28743695	17617907	23748397	25693457	23920798	29168033	27645498	32040951	25322734	26844795	27798168	32281546	28786702	30259571	29571447	28044910	28380417	24542231	27977742	27968570	31803157	29058529	32749056	33595943	29283396	35892065	28646078	30053653	30283525	20697956	20563183	28044910	27999545
glutathione reduced	6861	5689	32	24	28	4	88	7	617	824	10	4570	4702	38	493	4594	43734	150450	1422	773	331459	290	11493	281427	204854	3234	6861	5087	14756	20759	597834	81791	29248	5569	nan	42549	9335	131	223675	246499	1995	8923	43073	518833	866	nan	715	130762	6861	2478	860	4534	nan	37955	28827	15365	7477	nan	53072	nan	nan	nan	nan	nan	6861	nan
glycine	61879	64419	54344	54572	47380	47063	54136	63453	67584	65398	59387	67527	69628	63430	53660	47720	73587	58319	52696	57207	69563	58900	66715	55725	73219	63583	61879	62775	52175	58611	57463	48964	58787	59673	53604	57435	57650	51337	58466	61264	64175	50176	48633	57388	77479	56429	56356	61645	61879	62316	59079	66318	65228	67500	66357	71516	73051	69825	75051	61844	72652	74876	39512	39338	61879	61588
glycocholate	37426	37518	8643	8935	nan	nan	41200	6125	76436	4876	29020	7849	98382	6123	24209	1881	73124	75606	33408	46021	13180	48038	76168	29452	73303	37279	37426	37584	nan	nan	140	9110	1008	35469	45181	105857	13663	43889	nan	27032	4345	3729	2535	66	32414	54358	10101	3236	37426	41561	14965	23105	208131	118835	151287	20	39970	48177	17410	78139	11256	12373	1323	1161	37426	37001
guanidinoacetate	10267	11364	11023	11590	12236	11623	13536	9914	10825	10883	10109	12908	20007	10646	10197	9195	14083	9779	5318	8848	9407	6620	10398	10824	12778	8378	10267	9640	7369	9181	9985	7247	9916	8424	6721	8347	6100	5826	11367	13065	12536	7932	10761	9632	10697	10633	10986	12775	10267	10877	9861	13210	9804	13870	12299	10417	12591	10455	10773	7765	13464	13592	9631	9284	10267	9886
guanosine	506224	500045	311039	303268	317426	319644	374707	335395	301525	226813	386241	299011	367669	486438	241603	206756	1089345	552920	731070	347081	424383	294693	351429	375804	343224	692401	506224	509463	1296308	501011	247633	212012	1562405	460886	1256960	443913	687978	246677	707790	524119	390616	394950	272353	314083	438990	1531402	300979	461067	506224	505901	438730	273103	437643	295013	397372	589943	833566	284039	505875	315240	405346	405198	286103	294581	506224	513706
hippurate	2269746	2322032	2958517	3010286	3101417	3155405	1876214	1978792	2012235	2221833	2394290	2519410	3728409	2164101	2296643	1196918	2651730	2703781	1907557	1958766	3866134	3484211	3632008	3692524	5456315	5042804	2269746	2257091	1714174	2199256	1308343	1911932	1922843	1729404	3206766	2078530	1807005	1799331	1617524	880860	455823	925567	1169818	1240429	2758015	1815366	2838912	1424633	2269746	2375500	1427047	2126349	976282	3667517	2103900	2291184	2687364	1696447	2726518	2006924	3687140	3717429	2871681	2840069	2269746	2197345
histamine	1650478	1647434	1889789	1891706	4881306	4859534	1553745	1484503	1498199	1611088	2274301	1896631	1630933	1778040	1494193	1761239	2769034	1567732	1477100	2008948	1210002	1357956	1931434	1486515	1376529	1303104	1650478	1657902	1037913	1637992	1362425	1512902	1725288	1381440	896232	1127805	1264112	985524	1867758	1850796	1328991	1384490	1190793	1405830	3023439	1542911	1333564	1617372	1650478	1632518	1371924	2431992	1541563	1838683	1584899	1894326	2232709	2069324	1829270	1736825	2370445	2359634	2024694	2037071	1650478	1642513
histidine	1877364	1918316	1506700	1511915	1239116	1238906	1446416	1952793	2259922	2351256	1844801	2901143	1958185	2002118	1650416	1652964	2100469	1495916	1466549	1469434	1898165	1779196	1988212	1729301	2053028	2186214	1877364	1846984	1723744	2023535	1732851	1658362	1660741	2100344	589312	1918660	1966043	1665720	1910054	1675676	2217394	1753367	1640312	1943488	2272002	1950251	2115763	1801873	1877364	1872518	1675891	1667824	1841141	1888592	1983700	2010118	2147298	1707377	2176207	1643472	1916975	1917444	1218632	1223957	1877364	1905801
homoarginine	95006	97512	53425	52167	35816	35487	59665	93646	102904	110711	82589	126288	83347	63980	53502	39284	173217	75966	60407	42276	140048	71334	82781	76366	119827	115985	95006	93362	66900	83848	80079	59440	65146	102632	35126	71794	78855	60174	69681	76826	119804	65461	73493	74687	89003	72222	84496	66463	95006	95512	105668	84046	126308	226458	160365	189431	135166	138955	236365	117310	79703	78608	36689	35794	95006	96161
hydroxyproline	89272	92945	73790	73992	69980	70995	96301	90870	116407	117448	99849	117025	142002	115277	102890	77728	100562	72790	52105	59032	90427	58625	74109	62152	80117	62559	89272	89873	116733	131620	105364	84352	96341	75631	100619	61994	57481	52787	113639	111764	119938	88841	81816	89954	114818	92663	106544	115383	89272	88505	75329	77972	73280	95875	84812	94600	89979	70181	104336	69315	100648	102738	62117	60031	89272	87804
hypotaurine	327743	328702	319556	319421	274606	277398	307319	209862	201658	245144	242563	247210	483377	385623	395446	309380	447007	439680	243684	366643	324720	259111	315616	368299	431586	282358	327743	326990	246430	230672	284309	291609	274685	267796	235826	329595	267661	255627	349786	293083	374463	289393	338600	303911	352616	346961	325206	321178	327743	332474	380780	419300	372295	402625	397572	476730	453570	346181	391728	311083	411849	408680	252968	249916	327743	324473
imidazole propionate	98539	99902	54643	53992	42791	44072	124972	62127	87263	88423	64188	135227	86446	123678	53441	64444	47193	30612	38046	86525	29708	42710	41927	57977	48774	45416	98539	96963	118927	162023	73952	76987	88366	106965	1481532	40690	22211	21169	84022	108257	71753	59975	68558	65037	97436	116582	76118	99102	98539	99934	26203	26629	62327	40957	50861	57437	55084	32624	80807	28181	84855	86542	35969	35375	98539	99681
imidazoleacetate	10915	11084	11018	10101	7610	7380	13440	8857	10887	10807	9061	15964	12999	12563	12039	11634	13724	9284	8676	13491	10915	8835	11711	11969	12403	9969	10915	11538	10443	11213	12048	9782	16369	11613	25886	6823	9698	8673	13838	11177	12585	10634	9078	9452	10421	12909	9609	9440	10915	10176	9096	8744	9725	9223	6589	9485	11564	8817	12365	8590	14043	14487	6458	7484	10915	10686
inosine	13267452	12971879	6778106	6730632	6140411	6461679	8374795	6448936	5481085	4578235	9277114	5966397	6782054	10497909	3538883	4543955	23253179	15632509	17666288	5539455	10911647	7035087	4082865	16263254	4055191	17175537	13267452	13164897	26391727	8589164	6009703	4797430	33105353	16405790	8794357	7014151	23266752	8805822	22492467	19651195	9497742	7459302	5858896	6202645	8553979	31374974	5508434	11684887	13267452	13494231	10826045	6746410	8353817	3016148	7139442	19091842	24384478	4451229	11290981	3608610	8754902	8835509	5896513	5919489	13267452	12943809
isoleucine	161934154	167224506	130712269	129450723	124741999	124283859	160514775	149014173	207052959	157189625	161158702	225307466	201016492	187735705	139032203	116091479	217903491	154062976	175898608	195389214	195904414	176729748	155979148	147500698	223030307	168048399	161934154	162601706	134666782	131910101	112680752	124291758	138154966	161512617	188050169	121843040	148275987	120070172	152696381	142670137	157057785	137739827	109296132	124286505	165012149	147231784	158569088	132111189	161934154	160856944	164285329	145401101	195959318	204555273	165059039	252128359	211469962	152976687	224472639	169321471	178644428	182265233	120161032	118718556	161934154	162519343
leucine	280123721	274491062	216936258	213802546	191818700	194499199	254228408	245191054	333586346	262940896	282799481	390587488	308211807	306590511	238266449	190581365	364506569	267026913	287250470	310236590	325301729	296273745	274548216	256935177	389213013	299627127	280123721	275637601	229898302	235155748	198780005	215060815	234659853	254734639	355939386	219424514	247819331	214168902	257075938	238306844	272158406	239153791	186037288	224306800	281944481	239784890	266595097	224675667	280123721	278812614	284096745	256572942	318986461	359746323	292851554	414785407	347379767	264236851	394015760	275428799	297226883	303394127	185641305	184839329	280123721	278297774
linoleoyl ethanolamide	143737	145076	155538	147744	153802	159236	140657	100863	167874	237756	125547	174817	167721	263611	165416	62946	146360	173674	105968	141379	151301	138761	124677	143614	66456	176409	143737	145916	140707	164363	141640	98831	158498	178935	133293	117847	121604	140378	149467	146728	203976	139777	120952	117833	109925	163663	151075	141675	143737	146213	146697	131821	176240	154089	138802	161236	176932	99857	205179	188700	160738	172773	166344	180795	143737	162913
lysine	5191204	5261017	3862928	3834929	3176687	3182223	3059113	5598312	6316544	6369624	5526927	6461008	5064439	4004090	3486782	2947942	6288095	4264818	4794472	4484625	6581685	5164779	5659545	3476442	5985122	5808723	5191204	5133659	4467345	5538104	5082360	3516951	4337269	5890217	1651718	4598914	4826769	4246774	4274145	4077381	4752446	4060981	3409469	4382328	5278722	4576612	4914983	4354026	5191204	5184813	5001626	4642780	5880242	7345918	6388535	8534775	7428863	6465574	8835439	6466063	5284818	5194370	2980560	2925660	5191204	5265600
methionine	433203	423186	371449	371210	357313	344576	332685	418772	531006	484327	462878	608536	473349	434064	377625	306965	489233	374186	378037	378342	479484	431679	497842	383116	488543	488654	433203	441704	396544	473639	351785	325525	408164	460987	381012	391265	399901	326271	414513	402061	483607	378230	336598	402587	510416	403837	464027	413663	433203	428649	350419	357531	439732	509689	434767	563771	578978	442020	644391	447578	546561	559791	330621	325783	433203	438576
methionine sulfoxide	835146	774516	1167205	1294315	778509	933240	795873	712966	1056437	963046	883008	1294030	743681	780178	889041	696721	691315	832789	558463	656430	652243	1012884	1073087	1127189	784074	775985	835146	900207	788832	928393	533401	820859	703306	904124	1901813	683355	676279	576377	617702	618938	880517	697496	602999	562748	1243062	539853	745697	708871	835146	756175	520859	762039	652905	896429	890251	600974	777981	779442	1211433	891369	2013736	1755941	875672	861030	835146	964697
methyl N-methylanthranilate	10979	12304	30365	29723	23361	23334	15638	6792	15661	15723	7032	14548	15490	15110	12680	9276	9550	10963	3273	9556	9394	7649	6520	8860	5181	10066	10979	10382	11054	12817	8150	8109	9898	7862	9238	6887	9392	10102	11713	11582	14853	11840	9015	7866	10988	9546	13182	12189	10979	10524	13190	12040	12354	13694	13726	15081	14701	6929	20422	12755	32839	32445	28445	29204	10979	13451
methylguanidine	10895	11171	10074	10495	6625	6992	6972	5547	7970	8573	7663	12985	7450	6790	8851	7372	7809	7784	4302	5622	7863	8049	10428	11101	9291	8609	10895	11101	13540	14049	5899	8402	7782	8333	92584	8734	6878	7290	8290	6349	13959	8513	6262	6022	10561	6632	10502	8946	10895	10947	7527	13119	8301	15122	10953	13022	15641	8741	14900	11116	14122	14130	5800	5976	10895	10372
methylimidazoleacetate	5846	4060	4250	4497	8093	6388	5366	5326	4933	6821	5598	12630	9224	4325	4732	3489	4237	3574	2132	3771	2500	3018	3328	2753	3185	4699	5846	5750	4310	4759	3986	4766	5790	6397	6631	1709	2330	2120	5527	6643	4187	6453	2352	2106	4357	7630	4500	3816	5846	6425	3709	2731	8766	8164	6927	7918	4875	7705	6432	10249	6111	5515	6474	5948	5846	7089
methylthioadenosine	3410735	3591131	3976806	4287874	4106543	4229926	2304983	2801179	3116461	3115572	4140782	4218672	4076399	3793457	2430308	2040318	2639824	2188583	2122696	2449043	2907934	2374498	3004882	2568100	3460166	3461497	3410735	3628138	4025801	5022651	3175641	3163997	3217273	3415985	542797	3540876	3926699	3981857	3847251	2747446	3074597	2608806	2742025	3029061	3311538	3330427	3793110	3722683	3410735	3534683	2929240	3176795	3133703	3576844	3732450	4199742	4542824	3477057	4642908	3064063	4002342	4116014	2952951	3015877	3410735	3355693
N1-acetylspermidine	260623	271243	190581	183827	151894	152561	233655	217174	239407	246030	222552	261225	315051	315106	233029	202663	382089	294546	246337	306022	300530	249784	300505	297085	382386	237596	260623	267954	178018	238768	241322	227697	201365	232974	193239	245913	239733	211773	230994	252606	291046	202189	191276	235622	310240	264892	252186	262558	260623	261310	296671	309954	268599	328452	332540	338493	305436	296451	349977	266069	236794	238787	124018	125224	260623	261619
N1-methyl-2-pyridone-5-carboxamide	61117	62298	54713	54539	56555	56638	43600	46421	55365	56411	49169	54842	73794	68594	48831	40888	79982	53905	64148	78796	86621	67635	67952	56518	112235	78593	61117	61206	40358	53237	49679	43266	50390	58767	54365	50993	56200	56584	54667	46216	50995	45114	38324	39363	52641	58441	44433	57274	61117	60266	63359	47831	66215	97392	79949	97873	73646	67700	102665	61577	64169	64511	49425	50817	61117	59241
N4-acetylcytidine	143858	141311	57808	55264	52891	52093	82072	107805	115388	141001	90428	123187	102734	86359	63130	45899	276994	215763	182316	198906	277691	168693	193530	161274	218564	194917	143858	150791	125589	75977	98044	80601	93055	138443	178292	163366	194035	146213	99161	78517	85752	59350	76838	58757	98044	71190	87451	63179	143858	152172	204031	237966	211039	273871	226346	228813	217477	229506	223454	173158	78157	75636	42743	43487	143858	140613
N6,N6,N6-trimethyllysine	1087804	1052320	1560233	1482482	1190572	1226207	961474	1110341	1329603	1408767	1146202	1609846	1087557	1108645	923438	912787	1218305	933276	1023297	916247	1365935	990079	1253869	904040	1212994	1192349	1087804	1078517	933690	1075418	973778	895178	966143	1016056	748748	1009097	1013560	875527	1065408	919960	1123027	851151	843832	868984	1312011	983943	1177372	1048258	1087804	1101194	1008604	1019965	977335	1304309	1325765	1495271	1187316	1166728	1521895	920330	2025925	1999804	1131865	1196046	1087804	1075440
N6,N6-dimethyllysine	427940	391183	483229	528339	411956	397777	370736	310361	409387	307066	307356	397303	468791	354449	348726	308468	634108	477624	383019	432638	594697	452070	493356	424476	550709	439894	427940	440800	321847	380813	382997	325520	395414	457640	446153	401616	381060	322688	341741	362978	478095	328700	274334	312528	460165	392897	409635	381292	427940	381879	456971	484859	465259	481273	608881	701070	590605	494336	677760	389108	748433	761814	402236	448403	427940	470913
N6-acetyllysine	33089	32261	26432	25926	24990	27769	18556	30254	37734	35271	29674	37873	26841	26478	23407	17648	34368	25756	27020	27098	38487	31950	36851	26187	34844	31459	33089	32893	24050	34063	25485	23731	24133	34124	35623	29333	31944	28240	26489	22174	25162	22330	16702	20038	25274	22182	25768	23808	33089	29735	35090	38151	35063	55032	40444	51083	43168	44384	57569	42036	32865	36264	22398	22801	33089	29496
N6-methyllysine	7380	7456	5118	5294	3852	3730	5989	4421	5454	4864	4464	6766	8862	6226	5965	5301	11421	6423	4783	6819	8361	5746	7405	5820	9427	5501	7380	6668	5249	6159	6292	5086	5701	8093	1466	6162	5467	4508	7220	6675	10914	5465	5183	6051	8221	6611	6565	6596	7380	7268	8233	9894	8291	11372	12251	12496	13462	8968	13303	8551	9579	9090	3806	3997	7380	7581
N-acetylalanine	1468645	1437500	1635223	1516185	1652452	1633726	1632183	1181873	1493566	1451148	1103453	1547742	1741481	1478595	1337337	1011824	1779954	1601471	1399658	1930380	1781486	1313754	1416783	1449822	1645627	1355819	1468645	1339409	1082535	1159996	1259978	1015473	1130553	1263679	2296747	1283635	1250751	1248665	1346018	1312734	1631660	1269991	1177336	1349628	1636831	1031610	1149484	1296837	1468645	1495932	1826260	1767176	1680093	1951509	1956855	2060144	1730481	1655382	2176145	1615790	2033265	2052607	1595940	1498750	1468645	1451716
N-acetylaspartate	15286	16441	14166	14553	14089	13495	16399	17677	18098	17784	25857	16325	16098	18586	13160	11196	22227	19268	17697	19882	16571	22501	21631	15142	17001	15629	15286	15397	17816	11739	12765	11373	14049	10752	18592	14883	14806	11061	14345	13656	14322	14355	10357	10574	19682	12376	11347	11497	15286	17690	18279	27996	18922	18790	19019	22655	18959	16999	16417	15502	17594	16578	9792	9782	15286	14624
N-acetylhistamine	16969	16618	17097	16583	19619	18741	18403	15335	18094	17791	16308	31796	18776	18708	18797	15706	14969	11094	9704	17866	13851	12985	14730	14413	15252	14616	16969	16557	14657	19918	15305	15437	18760	16039	16421	10784	11516	10774	21329	15730	25565	21560	18738	16419	15380	13149	19303	20497	16969	16941	9778	12137	13546	19981	12525	14144	18500	15852	19506	13735	20860	20951	15383	17065	16969	15877
N-acetylhistidine	3266	1958	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	746	5041	1765	3703	4212	2657	3254	3713	4101	4560	3399	3266	971	nan	nan	nan	631	1310	5906	2337	1523	5488	3217	1260	nan	nan	1205	nan	nan	622	3337	3336	993	3266	2168	6714	7467	7147	13783	10480	5052	11862	11398	13742	12000	nan	nan	nan	nan	3266	4063
N-acetylleucine	2448	2186	1721	1815	2178	1991	2142	1922	1614	2456	1702	1911	1558	3742	1612	2837	2003	2646	1674	2055	1697	2225	3524	2369	1522	2158	2448	2335	1563	1931	1986	1863	1538	2810	3227	2334	2236	1903	2232	2212	2884	2206	2582	2042	1828	1945	3943	1844	2448	2628	3657	2925	3532	2592	2212	3509	4741	1780	1880	2734	1796	1726	1696	2242	2448	2293
N-acetylmethionine	450707	434179	255398	283718	245964	250950	305731	229831	224682	201973	350721	320168	342847	345157	166999	97284	826231	457539	573660	311403	400978	327527	286419	592195	220497	677365	450707	447634	958149	305340	205206	217748	1240596	637743	491110	215471	1189900	548700	702733	719236	399245	220706	350054	197954	297940	1017841	209546	466837	450707	434205	390272	268390	362240	269080	310537	876873	891336	205978	473309	235416	533481	515417	247084	244992	450707	421547
N-acetylornithine	104408	107510	103483	101832	86672	84749	99774	104857	148894	138910	112314	164481	131206	118322	97718	94190	90027	73884	91956	73783	96373	94296	93325	79941	89107	91096	104408	102399	81298	97517	91230	94920	102303	90502	109036	76793	89512	77650	114375	99446	123132	100951	97896	91348	107013	112629	115307	112577	104408	105768	92133	96283	94471	102411	106439	103572	118836	83381	111535	86992	136714	141413	75650	75950	104408	104301
N-acetylphenylalanine	10288	16738	28929	3948	nan	242183	4468	4791	11297	5296	6501	15597	9705	4096	1849	10260	64239	108560	nan	nan	2167	124862	18127	110365	10735	nan	10288	33656	11921	4816	5246	13206	2280	21473	nan	1898	136632	107066	6916	6010	5162	5810	7295	6040	6925	6004	7805	5468	10288	20032	576178	443688	472323	486372	467326	nan	280347	139713	nan	394515	18290	28456	5011	6508	10288	54837
N-acetylserotonin	813629	782831	1001995	1006919	1078082	1112427	380708	392940	176043	309525	289335	195156	310867	262591	405511	382942	833630	715319	827477	1024109	695634	1125106	1885274	1400271	1070767	1382666	813629	791295	796764	1253822	1678257	1788086	288288	411368	654579	228931	178108	662773	384461	411831	727097	766782	1184447	1013152	1142364	530046	790191	1067183	813629	880344	1108073	1161944	1267839	1032510	1343649	1018905	958616	1637405	948771	998512	855000	842165	800370	781416	813629	829500
N-alpha-acetylarginine	20696	21602	17589	17670	15523	14952	14269	17879	26915	21963	18686	25747	21639	18400	16633	12384	24063	17927	18536	16491	22818	19226	24035	18390	25243	24465	20696	20149	17189	20295	17593	17258	17590	20642	21409	19679	21368	17654	20007	17589	21670	16527	15860	16321	17736	16852	22217	18361	20696	21337	19188	21695	20801	27974	23010	29797	27195	22398	30693	22085	24341	24480	14818	14111	20696	21821
N-carbamoyl-beta-alanine	3154820	3133722	2075836	2080946	2759715	2710990	2998363	2519396	2857992	2601423	2393083	4641026	5392865	2900935	2593024	1902679	3792502	2238806	2238056	4994240	2943839	1992431	2257731	3039160	4926528	2442714	3154820	3178624	1829385	2215907	2143849	1901622	1761274	3521279	12641711	2154824	1997084	2052790	3445649	2602147	2847574	2495479	1798694	2672884	2685297	2062589	2392837	2291603	3154820	3276283	3849133	2725128	4829527	4542121	4096843	5413726	4250412	3025536	5380015	3098286	2880808	2698455	2506833	2542675	3154820	3133595
niacinamide	41344805	41180944	13050521	13021050	14581931	14434793	22371989	21283947	23893529	19001159	26836210	29120148	21336635	38526845	17142772	15775295	67814356	51161349	62598270	22644835	29135253	23696409	22256628	53216166	24873072	53894320	41344805	40997616	77143228	30035301	20656713	19585554	102234590	62190304	28958360	30492251	84517233	37654017	73128032	65099977	32973501	26670753	26771697	23059366	28647631	93983003	24661760	38275927	41344805	41842538	30111177	23502976	27541635	21859369	28184799	63341575	74102902	21363041	42266266	19330202	19241457	18998692	13414496	13120193	41344805	40695970
N-lauroylglycine	10655	11650	7531	7167	7221	7301	7412	7963	6450	36675	11274	7889	7438	55030	6921	6147	5743	11334	5686	6698	7367	9311	8158	9549	4959	7063	10655	10712	7469	7244	7342	6370	8570	41891	8011	6622	5586	7344	7990	8452	19128	7602	6926	8556	7925	6876	9506	8955	10655	11636	8209	7738	10295	6985	7043	7727	15132	7086	9580	27479	8100	7395	8553	8321	10655	12474
N-methylproline	10895	10076	9384	10110	9034	6941	9689	10857	12279	9822	10779	15686	9473	12433	8118	8984	6728	8249	7114	7319	6748	5637	9034	8009	6366	5197	10895	9074	6449	6191	5681	6208	6755	7296	7695	6666	9156	8064	11938	9315	7645	11827	9358	9040	11119	26688	24106	15302	10895	9747	11931	13602	20243	26117	22853	13707	21110	24546	13908	23395	12609	9616	7260	7219	10895	10314
NMMA	293876	303083	230448	233526	169412	168053	211536	338133	413661	379788	321412	442974	313575	275686	259155	218547	315464	227376	258101	234204	356567	263030	306574	236433	299193	315405	293876	290416	233165	296509	298217	252068	277724	283574	99494	223962	235185	230594	308317	254882	368635	262278	258395	278645	323545	318857	350835	290717	293876	295367	244235	229492	254666	374717	336780	366873	350435	283442	401391	259189	322102	317973	161450	158398	293876	302065
ornithine	22280	22049	23407	22738	13596	13237	26205	23536	28700	21777	23750	27249	25277	23293	21192	18293	19649	17707	16839	18862	21657	20803	20575	21204	21644	19537	22280	21678	18782	20965	19431	19958	19582	22002	11198	19491	18636	17834	22278	22551	27017	22408	18884	21602	28942	21789	20299	20739	22280	22696	22744	24653	30280	28006	28818	25896	27142	20854	24221	18391	26429	25804	13936	14059	22280	21183
pantothenate	34012112	34079607	38186198	38869779	33678052	33770974	35275850	43307826	45964597	46112006	43648181	63992235	48397620	50121065	35467968	33083337	31175744	20878182	20234994	18024413	33280008	24489986	26676819	19518397	31484085	30696637	34012112	34578405	34509567	42154902	36106881	33893022	40526898	25006839	21438345	23753755	23551415	16759649	42424201	40058941	47756951	34218136	31672018	39798466	54885471	35307720	44845155	44264669	34012112	34498368	23711908	18080013	18705173	24975662	24448121	36206747	25299912	23304931	33550634	20650868	54368677	54057895	29193833	29837029	34012112	34078784
pantothenol	41844	43200	43712	43622	18487	18630	30236	123231	405875	280399	11271	8156	12991	55233	19244	47967	1457	20966	4669	20657	32373	10813	14163	54000	28968	16137	41844	39348	3801	22208	16340	21523	1036	18427	29172	9455	1210	28464	3191	68290	35151	50850	8724	9357	4099	nan	89731	78885	41844	42454	25082	19280	16757	23408	8992	4409	28702	5011	24110	23409	16036	16201	12852	14327	41844	40395
phenylacetylglycine	33757	36574	37334	39118	31440	32845	25169	24030	34338	23761	15097	34612	36698	20960	19849	12482	60588	24119	56916	53828	64619	34846	42556	29182	28845	52863	33757	36241	18761	12545	41133	14690	11820	34723	56794	66656	37347	27447	15301	21124	15626	8134	12954	19871	13256	22692	16064	21594	33757	32948	59107	28275	67629	46735	69520	84892	51067	67659	68234	24292	42133	42199	31925	31698	33757	31571
phenylalanine	178515516	175895168	144410271	143151046	119032703	123383815	170417004	167189329	208077697	188774315	178258143	255391781	204806071	195489896	148997068	133711835	219038031	157300111	148347806	160590756	182173587	177665950	175427668	162525381	211698575	181933958	178515516	178611144	156542525	159165655	152318521	130018728	159975264	161347638	211935867	148080942	159946682	138688818	179287638	163266655	204296622	158090190	136433660	156621571	201521940	175123183	184259304	168314264	178515516	179875855	174292245	180571287	188646892	226892444	187127916	246533599	213743730	167319105	240710986	151028113	196661458	192192047	112840504	112415079	178515516	175907214
phosphocholine	817351948	829529875	890924994	884184342	740288328	753620721	721670832	779090966	1142231189	1049405082	785903443	1232477929	972808951	884545952	712770957	669342007	901309451	691669508	553459093	577660325	860584249	614030263	906196318	682488792	899544930	870128794	817351948	809968158	702629837	823164072	729799585	665601931	841625476	768088482	475429491	704252131	635119708	553505517	872667814	830800771	1152122391	739874660	820935363	746053435	1207420364	921062367	944103394	885830978	817351948	825618172	725462784	754754947	627954674	790501383	850298814	1102938167	881415291	859585259	1231191311	641847238	1236581275	1237573719	673914961	666533120	817351948	828461432
pipecolate	59359	60364	73225	70709	65806	65610	55652	48442	55381	61183	49973	57189	68842	63534	51516	53463	78875	66998	53647	62310	69067	55328	60725	62357	64473	52306	59359	61485	61896	64708	59900	61891	62231	67040	85789	58020	61392	47589	54109	48320	59678	50143	47582	40408	65750	89238	98052	58644	59359	60307	59558	61352	67955	68702	63844	67703	60640	58183	74812	65060	92903	94934	61099	62302	59359	61666
pro-gly	21011	21181	20220	19491	15242	15284	15376	18666	21759	23478	19034	27654	22784	22599	19170	15665	24371	17202	15756	17295	24241	17819	21788	16813	24269	21578	21011	20446	18866	19385	20270	18737	18069	21484	14990	19222	18548	16044	20589	20310	25787	17456	19076	19565	19861	20179	24036	22079	21011	21389	17712	19522	20939	25502	22592	28067	25141	20747	29045	18483	26477	26031	13803	12647	21011	19845
proline	1201268	1234895	1128884	1104138	859269	858657	1132191	1205960	1485779	1464683	1291357	1925677	1444078	1182404	1082061	904923	1475895	1093316	1084962	1052602	1368631	1313678	1520122	1283494	1352981	1407301	1201268	1202898	1038550	1182251	888605	865977	1127763	1102253	1595662	1155894	1141155	917169	961120	1025004	1343139	902266	899883	994158	1349149	1122917	1159317	1077695	1201268	1217959	1039589	1066259	1145387	1343076	1249352	1546588	1533759	1101269	1605883	1086470	1625725	1595804	784595	778994	1201268	1206720
proline-betaine	1787652	1785182	1668499	1650828	1298695	1288902	1611523	1359013	1843469	1749762	1568316	2323495	1783132	1461279	1330134	1247395	1898080	1713021	1545407	1339414	2521564	2026558	2837629	1607720	1902348	2320137	1787652	1786638	1560206	2129206	1082389	1170200	1595555	1886229	1686222	1644428	1338032	1661300	1429255	1228605	1997208	1199819	1251077	1303555	1998574	1787304	1846418	1670040	1787652	1737540	1818990	2403382	1860136	2677371	2401460	1853206	2348422	1981606	2844487	1360349	2324379	2317199	1213749	1246103	1787652	1775474
putrescine	52119	53123	41788	41932	34767	33966	65148	42997	48231	50389	47735	49924	63712	59853	58544	51176	64072	61837	42387	49970	50514	47101	54487	48469	54731	40856	52119	53230	46273	50540	52639	48114	57066	46983	43225	47031	42019	43472	56077	56870	59526	58369	54363	52806	62075	52046	51688	52322	52119	52698	55847	59977	49940	57835	59727	55917	49920	54549	55304	45865	47696	47728	35157	34561	52119	53285
ribothymidine	253187	224892	154831	184839	109482	71428	172810	472917	81820	72645	186216	57537	55152	110621	117492	489185	61321	257243	564782	498040	105382	509427	566399	109453	257965	195505	253187	257623	127708	174638	320148	467564	140974	237314	123895	377867	152270	287205	157859	170666	226156	343356	466270	372742	449772	212617	190600	161133	253187	217950	213194	347052	214502	134742	150901	206016	177208	482317	206121	230196	97351	112668	149648	135887	253187	234730
S-adenosylhomocysteine	268043	258872	310004	261949	234913	289838	318157	175211	232624	235457	218788	225484	388582	342634	142016	161430	442436	265906	289267	162202	241124	121910	72999	364175	164243	304359	268043	228884	456522	245086	123844	124709	655122	365678	18001	136790	537356	203573	522145	416810	280288	168683	180091	110660	215650	555820	160913	266206	268043	226115	246478	89283	228783	132784	213782	468645	459772	121282	318220	142619	275096	295692	197774	184568	268043	227796
S-adenosylmethionine	415584	411742	425707	421283	361454	356868	369217	445371	526247	458974	404940	522498	491008	455068	372226	380340	556046	391368	336330	348265	465228	366126	448721	367832	481565	438131	415584	417754	360282	402801	398290	355236	370189	396738	57554	344105	347690	299692	429662	387406	526058	346857	370735	388290	575596	454826	457586	412932	415584	414089	375945	407432	384593	466659	455416	536011	497268	454628	632919	407688	625678	638381	341619	333213	415584	411187
SDMA	18580982	21832405	17507868	19828263	14570488	12338730	13137973	20953026	22911976	22318476	18471228	25270475	21058576	18108015	12731987	9979830	24635379	17563337	15820755	15765296	27377301	16172246	18827936	10758234	21884922	19715880	18580982	19393214	15368502	19031419	18777530	12508546	14952888	18594878	12199545	14657200	14124837	13746966	17069070	13767276	20623287	12096700	11337404	13575317	22278454	18079248	17126317	15467680	18580982	16359961	17282957	17144296	19007162	24914610	22099024	31475250	25966633	27565046	39222827	22971735	33051735	31184773	12189257	11189153	18580982	20370500
serine	16083	15596	10892	11450	10893	9954	11961	16514	16896	17251	16691	16550	14411	11839	11630	9757	16775	11593	16228	15605	21647	19020	20732	14687	16872	20728	16083	16404	14492	16105	15288	14004	16873	18267	16020	18634	19878	17220	13095	15478	15896	14082	12489	16647	17137	14992	15308	14926	16083	16509	16806	17077	19309	22480	20814	19315	22576	15618	20677	17598	12483	12800	8338	8712	16083	15497
serotonin	78241	78733	100520	104356	185090	178592	66355	64114	63678	69047	103198	75113	178053	70571	62888	60006	157898	81067	60584	112759	116912	68869	89697	64231	84159	60220	78241	88174	72643	93544	47205	49805	25528	67078	91917	55213	42643	44617	66268	61131	61336	137278	46684	51492	128366	43491	53549	79147	78241	73414	73579	115846	66281	91846	111984	93816	102179	97229	107602	82698	149323	140067	68124	70753	78241	71999
S-methyl-L-cysteine-S-oxide	255191	250011	204037	219866	226309	220433	225574	249019	251501	222080	212987	208212	198240	203793	193430	267680	324307	250565	304219	262551	266009	252557	248705	243651	225072	236596	255191	259903	272612	240446	231134	219284	291887	272786	617340	244741	282859	234933	349136	304421	298287	283388	253006	283690	294437	328420	253666	248259	255191	277264	247288	248367	240328	247129	265355	328469	319188	230115	279549	233611	233588	243703	194547	202124	255191	265073
taurine	52822803	52367224	52347605	52173562	47695536	47891863	49756234	52243512	55958245	54543373	51253942	59371632	57589631	55599270	52575784	49610661	58309042	52071634	46338412	47936879	53779920	48496756	53537155	49375110	56974501	51923720	52822803	52555488	51050480	51756922	51407462	49863295	51781111	49744461	47041358	49253212	48731365	46435585	55239448	51110963	57659911	49716516	50641357	50700717	58963237	53570994	56570377	54214688	52822803	53585809	50041741	54049262	49855313	54775801	53788892	56984701	54551792	53113868	58878413	48816648	60830526	60812328	45614014	46031511	52822803	52675717
thiamine	257454	269967	215068	211685	187777	193648	275287	204713	242167	240918	249986	342763	348695	275427	221996	209250	280906	271431	161788	213307	259234	223589	281821	344624	223963	240492	257454	257108	232650	209333	190551	232138	282571	289308	225789	235756	260904	201988	267295	233544	341948	235725	207131	163880	398984	348714	257098	256131	257454	248848	190007	249641	267563	337693	289080	248408	390259	283009	296595	247441	291105	297697	166793	170687	257454	266230
threonine	128050	126131	100714	100505	97420	98475	108212	130610	147591	134281	137423	119068	117074	109144	119489	96966	156428	116358	148118	138550	149330	162092	132299	119982	131726	149546	128050	127137	118986	123666	118072	114807	127077	145851	131320	117997	137926	119536	110329	128288	109428	119133	106031	130540	113780	135048	100585	118721	128050	129860	101878	96827	131429	137797	131256	120587	148410	135268	152258	151545	108423	106212	104816	104287	128050	128571
trigonelline	551303	557350	531506	528960	494587	485580	517332	405668	515875	500478	509512	749413	557502	545768	471390	470388	635514	659050	469794	453107	702032	661797	833601	757725	716489	668373	551303	549447	245315	394904	319515	479683	515608	510606	541538	565402	471695	523085	526328	403029	662359	473038	445627	382884	656332	467710	523478	454855	551303	553644	544779	692673	422165	657134	615617	522296	624923	441332	603070	428489	691591	682910	439886	436322	551303	548756
trimethylamine-N-oxide	110958	111010	62524	61244	52433	52211	99291	104588	154571	130228	110977	152394	132426	130227	108285	96023	200677	165125	84950	79563	178062	150023	187862	142457	181211	158136	110958	110575	112592	138242	78380	86489	114924	111631	134233	113834	107668	106057	106598	92835	139228	98070	87499	84242	118826	72513	92123	73809	110958	113799	94323	31528	42639	149723	74679	54004	54416	72699	52686	106164	105000	102934	38935	38279	110958	111890
tryptophan	328457	312200	336256	330112	341674	339671	307242	289019	364731	280896	322264	391880	375383	373449	332692	253088	397815	340676	291247	348395	339769	319751	332521	322347	393047	341206	328457	319902	301078	336028	256851	255451	288771	279600	321312	276730	291548	245986	328290	293935	321925	255038	277997	253099	357740	316372	303219	291276	328457	337964	309643	339524	402427	413941	340361	479329	381056	355414	446897	332540	464784	448168	314810	315575	328457	337016
tyrosine	280446	274394	188849	184218	237351	244800	226458	271371	371521	309981	289792	436491	354511	316864	267925	206955	316371	227909	252988	260585	299704	281394	299853	238006	390125	320180	280446	279498	235766	286310	218944	179789	241940	256758	315191	245453	242344	197875	264161	258258	277061	226162	218206	209226	330633	288127	310054	271983	280446	279043	260773	252311	298444	332791	282271	312579	335410	251509	397011	277898	286786	296112	221157	221918	280446	283565
urate	38050	39286	12712	13164	33492	33205	52192	34264	44100	16379	24339	104867	26339	27628	7543	11503	44445	39343	54894	51318	36691	60364	39469	75579	44396	53110	38050	39021	20538	19697	28476	16007	15743	34149	44274	45311	36844	50467	23897	21742	26753	11752	10502	31308	42161	27526	25107	20655	38050	38922	98424	59867	50299	57476	75302	109029	62697	37088	69303	31258	15864	15916	27610	28225	38050	36629
urocanate	143897	142181	69273	68607	53883	55464	65291	279146	171976	191468	43444	58052	64828	99463	146976	90384	89223	110648	143374	114405	56485	93782	86633	88827	63186	71181	143897	143595	74927	69847	84832	93289	81692	106697	1725415	62953	74222	67615	164736	85538	87187	193545	53657	84123	88959	93881	162528	230816	143897	148263	78328	84526	111657	115520	76707	88978	94616	63592	141478	75238	78103	87054	57136	56420	143897	143476
valine	160253022	160821675	131990589	133041233	116092537	117704924	138098385	147530802	190664018	163681590	163339937	212164165	174210990	174182981	146694246	121075279	198981084	147657149	165170589	177909357	187377578	170643112	160077045	142492101	222103671	170004905	160253022	165024732	134144016	138247739	121997608	132030549	141531239	154054445	436543217	116701678	142476188	121070709	145336756	136381976	153567170	137854103	115835034	133743174	162312055	142867359	157114211	130836248	160253022	162753561	153321909	143713207	189600489	195326851	160704941	229998025	198895435	144363488	215861753	166565387	179627825	180334741	110496057	109512775	160253022	155651172
xanthine	152963	146839	175694	177222	197420	192171	271343	92320	68092	56594	118741	106064	139509	170643	31081	73008	294315	185442	239076	104243	127734	90426	43975	220840	51486	223226	152963	152643	354242	118382	55105	54564	633827	238642	194339	74190	388752	88963	303771	277947	98920	79785	56526	54969	60416	512967	45485	110923	152963	156362	182807	41570	121741	27421	88649	386353	352858	39516	154932	43741	229978	220633	188315	186722	152963	152252
xanthosine	3322658	3283668	2442154	2479657	3923718	4027809	6603127	2057144	4631009	509068	1460019	17110449	2418991	1676176	317255	671893	2303070	2111407	5389010	2518287	2175625	4906805	2279040	6054723	1352517	3442396	3322658	3466168	1439339	1642298	2577267	736480	853315	1704323	5597959	4922981	2412674	5165745	1904383	1401136	1544181	819196	482964	3559119	2603091	1727424	1456620	1513962	3322658	3189193	10547428	6050311	1706656	3925604	4827781	13530504	4438813	1535067	4685083	851735	2963886	2970839	3720283	3721973	3322658	3289539
C14:0 LPC	39713	43801	59468	59508	36489	37705	40172	34811	65619	59776	63378	84044	47329	44577	44816	31267	46534	28909	29615	36012	38570	50632	53660	43499	50443	48595	39713	42451	43535	53191	24080	36481	40647	38256	40715	26083	34097	26020	43034	31319	42395	34255	31176	24470	37871	37706	41686	33676	39713	38955	31970	28746	30217	32363	34333	46668	38795	19585	43540	23777	75720	76416	34561	33821	39713	38822
C16:1 LPC	125454	127871	185141	170651	91292	88905	135165	99441	292370	183318	225825	300332	156372	136283	121792	92481	153395	100178	127205	152833	107294	184100	133768	153968	146241	134728	125454	125616	127558	136479	76535	106863	116419	100408	152835	87553	96928	85895	121424	87236	124843	89165	91930	62573	100947	119848	116820	95026	125454	117071	96347	80372	83630	85963	97743	143473	107035	64366	107564	67331	208008	216977	87547	90260	125454	125617
C16:0 LPC	17383350	17602720	17879726	17619132	13952656	14115224	17912473	16627907	21438237	20594546	20706685	23434238	22384884	20513542	17635338	14485809	20154966	14669158	12725477	14517827	18339378	16323395	16757307	16714723	18428235	16572626	17383350	17251767	17805950	19184896	14518663	15771504	16250835	15632699	18358811	14103666	15150240	11861913	19260405	17260192	19850074	15436516	15467117	15145043	21037702	19680244	20123921	18451767	17383350	17216635	15051477	14945158	13470175	15876192	16715863	19704804	16563329	14266788	19414261	12113259	23842117	24075658	12942399	12966858	17383350	17569629
C18:3 LPC	491927	521820	512044	479292	401963	397361	632419	490168	603013	565230	604852	634134	667652	575766	471450	428802	600538	423076	412333	460489	560981	503813	467973	526719	483316	466828	491927	489687	517949	532163	399280	428082	468277	446399	694193	398370	462019	371668	517985	520614	530857	431769	389917	426719	511760	529432	538565	490112	491927	488394	518899	425164	410459	425508	477895	564453	436001	380756	498378	327945	576145	582265	361102	370230	491927	491209
C18:2 LPC	2509588	2539160	3064532	3071515	2304219	2310457	2363990	2212509	3110218	3093557	3468561	3923934	3035221	2267892	2439449	2196022	2877912	2318731	1843069	1996804	2429224	3168400	3157529	3318085	2824341	2862674	2509588	2455862	2430615	3229485	1906588	2545849	2157043	2285244	4063032	2066717	2155899	1957483	2551888	2027975	2942960	2020535	2180343	1741631	3048004	2334823	3094969	2443305	2509588	2532052	1705874	2172955	1634964	2356241	2199732	2294622	2420542	1626579	2462268	1880504	4125645	4157153	2175411	2160093	2509588	2548579
C18:1 LPC	854529	872853	934630	926857	688273	689655	803298	832460	1130692	1127054	1180692	1373512	1075150	951390	819651	699220	998469	762926	689954	794093	916341	995454	949913	924743	934842	929888	854529	846833	830772	904058	691452	756198	771288	827878	1220200	706783	756078	636255	895313	748726	888099	675767	732346	639662	1016133	939453	978308	863828	854529	842660	651281	655599	635736	784236	768482	855909	836073	603914	909412	588617	1207524	1222050	642996	648098	854529	861116
C18:0 LPC	8905828	9036578	6939868	7085631	6466529	6362924	6924109	7166668	7697897	8664210	7832941	8968746	9352311	8528985	7753721	7352615	11779278	10014490	7018647	7976754	12167759	8362121	9495881	9832499	10491376	9424801	8905828	8807159	8189622	8224235	8460518	7833286	7748746	9397394	10155122	8626758	8821830	7438332	8790126	8683504	9526924	7443738	8228185	8263699	9392313	9978097	9880803	8878792	8905828	9069165	9054064	9204798	8832746	11177042	10455640	12451014	10396355	9420044	12026012	8465480	9145197	9296967	5715081	5664965	8905828	8971688
C20:5 LPC	921540	967297	1176511	1098528	838943	903811	957386	641784	1180412	1014521	1378640	1299247	1130394	802190	718883	740199	1134634	803359	779375	851525	1016858	1320455	1142263	1401318	1095827	1130949	921540	883825	868471	1191648	494211	846124	675502	809502	1866590	731699	915609	790442	846024	789068	1007412	709229	578667	510090	926158	732105	1159918	864641	921540	958585	728431	810743	508434	827310	817794	973471	794735	619246	857702	676375	1404218	1510400	775253	765376	921540	908615
C20:4 LPC A	1933260	1966532	1458438	1461867	1160017	1156934	1609719	1504132	1642664	2104983	1601674	1979180	2412092	2222756	2057928	1920710	2356140	2052518	1248348	1444850	2491844	1626293	1716689	1705566	2058969	1855494	1933260	1889568	2173305	1685383	2012214	1890094	2018652	1838530	2065159	1377118	1751331	1338264	2471294	2171707	2461719	1701323	2316378	1847074	2377408	2212603	2196094	2211993	1933260	1930064	1639754	1595037	1957890	1876625	1796808	2238719	2120608	1704590	2467938	1658635	2219359	2320123	1047546	1037955	1933260	2033039
C20:4 LPC B	573551	577341	675621	692722	618550	614321	626491	510426	600914	722422	649639	641394	958185	702647	644883	630840	689220	476599	328155	478721	605354	464502	562366	589127	676633	515098	573551	593407	528813	578971	602829	644290	450701	529753	680031	419320	406739	352263	596917	531961	678275	481177	615241	529021	780247	669244	775020	644058	573551	554867	332607	440083	428300	642814	535120	564831	538264	545284	676204	511301	911082	927267	577041	600527	573551	575012
C20:3 LPC	9843	11842	11087	11065	8601	11665	9223	12343	18726	18222	5424	2727	17796	22829	101166	25472	101487	10696	10504	17623	71918	32532	12680	24469	33018	96129	9843	34557	32616	48000	5412	17014	9405	66932	83466	5425	30294	6615	40501	23899	54326	50573	7127	3981	25902	108697	22751	6856	9843	13199	43954	58588	27799	13314	7741	60661	29798	28491	90258	42681	152951	214275	18271	37308	9843	9003
C22:6 LPC	955740	1013100	516548	511486	383410	391442	606093	831189	818621	986904	792934	995473	990653	937580	905278	805453	1166220	987822	727121	771895	1304383	922137	1066290	788205	1242536	1039633	955740	976916	1043219	851421	804786	895420	916534	1004049	1073398	854914	977630	846419	1014146	831045	1214388	739817	1031904	884358	1147035	1211302	1126965	944439	955740	973207	855108	888135	928819	1140971	1011714	1157797	1247859	1042833	1295051	870327	783124	820687	321389	325505	955740	979170
C22:5 LPC	256031	273832	160075	162967	106855	109097	201425	227755	234252	318721	247259	313563	291049	275007	226611	221293	295104	225141	185919	200390	295683	236404	262271	201195	308151	272887	256031	247124	290126	212390	199761	212816	292868	247755	235458	197294	237409	205677	296069	259235	324769	201187	259041	238261	264693	369345	294646	257318	256031	263464	207014	215035	250935	298771	258163	312128	363144	237620	326422	206248	225902	230205	87352	84765	256031	259068
C22:4 LPC	18859	18038	11089	14562	7700	7241	14917	11750	18764	25004	19180	22264	20000	21548	12543	9395	20485	14823	8796	11154	19119	10687	18793	11394	20600	17193	18859	15779	12349	9408	5533	8316	12998	15512	13854	11455	12857	10839	19028	16040	22540	14520	15124	14114	15222	24711	17063	15116	18859	17385	16297	13973	18438	25629	20078	30493	31098	18775	32804	20933	17823	19461	6328	5873	18859	22817
C24:0 LPC	14073	11580	15737	15440	11491	13871	11251	10710	15233	15925	13761	16942	19286	12962	12537	8456	20133	16034	12477	10936	15536	20334	16829	14752	14898	16390	14073	15875	13530	12151	18916	10195	12023	15408	10744	16353	13518	11633	15690	18713	21988	14492	17395	18097	14865	13109	16137	14287	14073	19079	19160	19476	23829	24243	28015	25372	23385	15138	23168	15462	22854	23720	11546	12739	14073	13727
C18:1 LPC plasmalogen	9703	9785	9439	8929	9475	7089	11900	8679	7664	7332	10949	9108	15332	8316	6671	4939	13418	7027	6416	10013	12071	8286	8227	9380	10521	8641	9703	9885	9077	8541	7026	5283	10527	9713	13915	6956	8926	5836	8464	11829	10835	5680	5874	9232	6934	12755	9074	9691	9703	8439	8286	7825	9935	9284	18195	18774	12252	9562	17613	9616	13492	13236	8367	8184	9703	9375
C16:0 LPE	511251	510893	363965	368774	247399	248337	358703	436950	472878	510805	534261	603931	579915	465571	476675	363747	659447	537699	450837	442096	656322	516059	589286	496384	591643	586097	511251	525374	558177	523203	408176	403556	581411	557384	496172	446333	532632	398673	538472	464714	561274	414921	425940	431457	519331	668358	516494	503400	511251	513681	500223	483969	461042	554028	566523	636273	655412	526261	668799	411006	519040	530496	224483	224583	511251	523623
C18:3 LPE	859741	806823	603874	592722	422586	435523	626178	744740	780169	841044	851295	932677	955131	770355	837022	661314	1090353	963820	795225	785507	1111937	931153	924478	913934	1001362	966200	859741	973603	955645	922354	683735	714358	994892	1042064	936200	822705	957270	729332	980001	898781	996991	786482	789733	787600	850111	1147503	937166	896417	859741	938047	885075	809967	928237	971275	990078	1107160	1171990	907501	1054223	683187	830162	872503	437686	406384	859741	830076
C18:2 LPE	56020	54096	52717	55594	40270	38442	44259	44683	46154	52797	56584	74172	68394	57856	49111	36607	71905	52115	53005	43054	62715	55382	64392	56703	51819	57251	56020	55868	72214	63002	47756	46183	66963	53814	97089	43134	65786	42314	68130	54999	64115	42910	44823	38102	44394	66021	63584	53649	56020	57480	47710	48742	49293	48652	52028	64336	70628	35658	57555	37280	80408	78100	34159	34748	56020	59215
C18:1 LPE	119473	119799	107612	115134	79974	79023	94104	107081	102828	123070	123600	146889	153052	139550	101956	86409	159891	114835	102839	97619	143383	100782	118528	111520	107826	134964	119473	122239	140264	107686	95979	93608	147717	114604	95938	86303	135412	86221	151022	127721	131192	99806	110569	101944	128837	183757	132556	119796	119473	118188	113513	95629	111447	108757	125639	150576	150876	98312	143188	90107	157067	161747	69891	67668	119473	119894
C18:0 LPE A	1446923	1484962	1052750	1069850	827797	833119	982235	1260630	1238974	1301851	1304231	1552885	1471773	1261711	1148829	1005682	1760535	1451638	1303202	1241486	1873278	1441244	1680333	1313685	1525677	1627235	1446923	1448506	1410362	1344930	1127435	1104741	1497224	1503962	985579	1363176	1511820	1173096	1456003	1408999	1516183	1135643	1194939	1304401	1463879	1840989	1439311	1405958	1446923	1423862	1647653	1475733	1533251	1847444	1888270	1976528	2096399	1722720	2041233	1427588	1354286	1353615	695511	684370	1446923	1454543
C18:0 LPE B	91472	98470	135883	135907	107952	104083	110800	109186	153498	120754	127505	174661	127230	115631	87070	65147	111592	64001	57771	70965	94847	92201	87717	86268	97329	104175	91472	93105	98738	116044	74661	75836	78783	79475	84457	67884	79894	49393	97948	90226	108851	80256	66901	67954	107230	77260	100993	86982	91472	89172	66863	64247	67636	85162	90532	93115	91061	63518	110672	60551	198742	189326	98625	99644	91472	93762
C20:4 LPE	583921	607410	732935	732601	589945	602526	611563	444692	549338	536894	576201	618787	795087	668886	537363	501986	604925	584638	483660	490599	506318	446552	539436	567347	582152	517588	583921	573693	680351	594807	502372	462391	686412	530712	404201	435135	541978	433635	673863	553415	643116	541152	555071	482409	634918	738931	613382	603955	583921	566123	554704	629200	572456	628274	595508	749760	799183	492514	715562	501202	828198	798804	465892	462006	583921	555456
C20:0 LPE	275828	285523	313168	302332	268764	282085	256804	274958	342545	318780	314915	360625	351679	343293	295839	237723	335801	222277	186097	204304	317556	234645	263693	252299	299906	264929	275828	279691	314947	342901	284451	260688	248475	248602	269648	231466	229278	179124	319174	289059	322165	257224	239576	239628	333950	264277	347170	284400	275828	271160	209222	223394	226160	313052	278500	299461	283713	232464	325994	223052	429371	435271	242020	242527	275828	274097
C22:6 LPE	942651	963060	667993	706739	518453	562512	614502	784805	801865	867553	829047	1045896	737256	725955	730845	651028	968630	885404	915886	728358	1081053	909372	985667	842030	985560	1075592	942651	932367	1201128	916277	846221	802650	1149084	1010782	781710	846899	1090044	874765	989913	849138	997883	770702	799656	915590	977279	1328840	1016093	892293	942651	930829	954362	898383	913480	973415	964813	1230412	1396853	939585	1171096	828747	934760	914120	517185	540639	942651	1026542
C30:0 PC	4267839	4608947	6977764	6597368	4846736	4628966	3651776	3773966	5251893	4831749	4391295	6240274	5117357	4654322	4093934	3573531	4627783	4092254	3831426	4276898	4250829	4785813	4356740	4366798	4582430	4579778	4267839	4232890	3683574	4398911	3728432	3380949	3873421	3975575	3664232	3575181	3778262	3407770	4462362	3857194	5051985	4069257	3926629	3503397	4501254	4193433	4592343	3970698	4267839	4320337	4099573	3898995	3873730	4609208	4495011	4975367	4475903	3712631	5403595	4003812	8005523	7863097	4279769	4452481	4267839	4546824
C32:2 PC	987996	974168	2008277	1967276	1266121	1154216	781012	940209	1531209	1231981	1311603	2167459	975098	1009114	949599	850844	1015548	751997	1020756	969173	821444	1117498	980913	989732	1016991	1155940	987996	987788	1129154	1441390	862337	818888	1018345	908875	958360	838388	935078	745456	973225	852906	1004811	1010312	851907	773145	1071045	814976	1009226	833792	987996	1025338	812561	685511	739915	787407	763031	835275	831290	559062	859882	708569	2142130	2132866	1344682	1439997	987996	1036357
C34:4 PC	1067143	1050716	1345143	1327682	1151319	1181915	1030575	1025029	1156170	1173492	1075251	1298331	1016143	1181871	1247639	1170292	1094417	1014577	1096594	1161152	1076969	1010015	911101	1057087	1073030	1138894	1067143	1065869	1153610	1210425	1161664	1083537	1198448	1098922	1203597	1013535	1150653	1018092	1030033	984701	1048629	1187906	1025519	1106294	1028655	1139689	1096630	917714	1067143	1085386	996086	784467	911021	882397	860012	945783	914966	788163	1005668	1000921	1358723	1355439	1220468	1252102	1067143	1069777
C34:3 PC	5621218	5700118	6375681	6258607	5994487	5757012	5373790	5073828	5146433	4984348	5266011	5353276	5275418	5242261	5323382	5168773	5717455	5882559	5734476	5982230	5529323	6097557	5429244	5905741	5580523	5742728	5621218	5533825	6006229	5967537	5488673	5171064	5579289	5990693	5355789	5768117	5772044	5572107	5602064	5784436	5450107	5495301	5069500	5288353	5235021	5568574	5228247	4887730	5621218	5650834	5496822	6018779	6020271	5991883	5808718	5636612	5814365	5996671	5787771	6147240	6468558	6548166	6215276	6313814	5621218	5928737
C36:2 PC	85224271	85968261	138819634	139611285	113764185	114027400	87400985	89717257	108081388	86948801	103177851	117923569	90669174	88105187	88270625	79685692	85172933	86169789	114396576	103551881	85385557	109971586	92563550	96835567	77201221	92037429	85224271	85116435	80589638	107323216	85394651	82309627	88198394	80379367	86078842	87475207	85865826	89934266	75817602	75372259	73973798	84252120	74915245	73328798	69580478	66511575	75923923	70069365	85224271	85211405	88244614	77733284	84611345	77824317	76739093	77736361	76336966	66862096	74075883	81699604	138276452	144779841	126503266	122928560	85224271	84406571
C34:3 PC plasmalogen	501876	548122	1062180	1065949	908277	935375	488712	636330	745048	605786	745888	823595	569910	559853	529138	449229	545725	567235	665830	551050	442891	654027	471747	581826	478447	507978	501876	511677	537394	652729	517543	521637	509248	481799	530208	521492	540613	550512	419923	417779	432494	431155	399067	437518	416510	422874	415575	411226	501876	498002	482194	487270	467523	427579	396065	464165	428415	384959	390608	515955	964376	1033473	991626	950937	501876	486676
C36:5 PC plasmalogen	22950500	23028600	23347286	23488609	22139964	22043175	21115995	22360927	24376261	24222548	22275741	25335256	25800659	23418019	23836218	20186035	23250515	23675392	20032701	22798632	22612120	20511876	22758076	21760441	25784392	21894050	22950500	23415684	22017189	22297131	22968742	21903673	23132483	21519294	22337810	21480811	20979905	20353299	24457294	22520555	26240810	21282105	23562583	22901710	26148779	25653696	23912109	23199667	22950500	23305647	22275993	23804986	22608029	24300380	23461330	24589502	24464012	24299302	25976540	22611296	27919427	27800113	20657115	20969864	22950500	22631480
C36:3 PE plasmalogen	414339	430903	870462	864951	942209	907851	513715	420803	453297	437267	534712	461406	433619	435359	458430	397541	357981	414753	448032	463481	362596	451669	397969	426497	325942	428632	414339	400797	393139	513241	453181	400960	392481	371908	274163	438698	394916	426470	394623	417513	339844	465290	400680	360603	331427	273927	331399	353165	414339	421563	455445	432705	438484	364828	374927	346555	401277	351642	346480	488638	733575	741667	982307	993262	414339	404800
C38:7 PC plasmalogen	158353557	154694373	123399810	125300719	116216940	118712562	99046005	155976213	163169199	170225790	139176099	171452985	133540226	130947737	135035820	120030216	155084831	153440080	128481240	141172140	167306035	138722589	158669743	142155863	195629998	152483129	158353557	162068100	164917944	157715103	157769643	161742484	156538347	164956091	160173848	162207866	156234110	152925275	161447931	141849587	190455800	128032765	155889060	172827283	185170317	203623813	177069168	166855855	158353557	162066851	146804529	160516930	147752956	185479545	180912415	171062586	185748891	189415837	181232733	150451951	158996840	156978386	105092505	110345759	158353557	154518254
C38:6 PC plasmalogen	14836614	14673437	14541780	14756410	13848313	13997836	11876700	13728147	15087466	15872465	13836301	16045925	14945248	14713345	13971611	12195641	15325538	14709613	12071600	14242600	15342389	12917017	14949392	13442167	16986187	14283426	14836614	14963188	13487847	13978930	13936409	13002817	13849719	14012002	14263291	13720392	13556772	12772414	15440595	14196949	16706794	12526635	15174624	14909232	17350047	16474070	15508113	14812845	14836614	15141909	14073778	15949284	14780800	17825879	16976346	17268741	17631889	17119087	17961976	14260419	19043864	18678134	12674974	13264619	14836614	14579079
C34:2 PE	5864662	5773524	10291444	9958393	7955519	7674530	5950745	5936572	7367501	6776899	7076761	8933130	6375846	6178058	6214616	5240024	5767452	6141301	6921889	6137735	5606295	6731714	5994944	6226810	5432258	6017077	5864662	5654051	5577916	7522035	5491603	5467844	5326487	5157493	4431295	5791451	5191295	5501164	6017496	5388927	5846597	5916803	5520452	5104043	4768881	4502687	5740358	5178338	5864662	6221263	6217273	5754152	6277113	5689545	5344184	5676082	5942304	4393833	4908173	5281356	9743406	9780976	8652369	8539497	5864662	5525191
C34:0 PE	3203705	3230454	4120390	3926980	3978315	3732240	3075553	3194726	3454701	3097756	3261919	3699369	3462677	3400781	2759766	2501162	3357269	2951783	2542571	2726174	2995077	3334361	3365722	2755319	2948140	3509818	3203705	3035400	3079406	3359490	3018255	2420080	2786991	3128388	2639150	2862454	2835228	2362299	3310969	3591746	3594868	2996388	2769234	2905485	3922743	2950051	3342931	2935905	3203705	3300406	2610328	3161486	3469483	4267360	3394902	3264776	3815870	3519989	3838529	3211065	5049839	4815474	3558292	3773209	3203705	3331636
C36:4 PE	9751033	9644998	12875020	12459347	10901483	10587277	10305434	9300111	10181872	9500207	9495636	10492772	11390932	11094720	10944474	9682186	10810383	10843456	9501904	10421665	9139382	9380239	9458120	9852963	9881215	9449982	9751033	10137684	9295255	9944103	9246974	9112932	9266734	9162803	8762853	9346857	9152529	8590640	10646897	9686262	10198444	10589410	10273931	8902863	10096222	9056219	9599978	9326764	9751033	9992965	10420557	10427108	9950956	10013231	9771081	10350079	10329750	9040021	9531708	9255218	14221559	14448680	11303315	11570135	9751033	9796834
C36:2 PE	8012209	8102437	14508168	14226439	13029823	12593416	8808015	8650310	9620161	8827135	9779059	11127790	8189375	8654837	8150053	7314114	6864214	7729531	10166685	8668225	7972636	9634769	8003446	8340638	6654978	8537580	8012209	8065886	7358865	10094872	7919789	7808716	7696438	7680567	5474065	8459181	8240141	8368634	7881231	7618511	7241691	8535896	7787021	7599822	5963330	5825323	7161013	7124177	8012209	8281701	9046612	7461166	9144421	7570849	7555390	7329820	8305260	6637183	7134057	8395653	12595024	12369678	13989544	14266349	8012209	8045085
C38:6 PE	33991330	33615340	27724597	27233965	26863916	26376231	27853532	33636286	33793301	34586183	32165385	36265252	31101427	30264735	31162372	29714782	34395566	33337171	30570661	29570905	36278424	32341067	35992546	31954006	36185553	35534722	33991330	33817703	34578089	33853920	32313383	32612337	33081289	34871988	33340117	34417877	33022265	32579167	35621809	34003139	37380634	33004192	34944898	35331663	36888901	34357714	34500251	34909203	33991330	34944879	33201087	34534509	32183725	36153312	34774458	38115854	36555291	35231355	37151751	31766491	31201155	30550998	26933054	26722618	33991330	34197813
C38:4 PE	26007456	25804483	30248015	29582616	30022175	29193976	30404219	21951149	22789686	22384280	23571671	21735413	28287194	29216107	29357865	26804086	25441492	26751067	25458716	28436796	24314212	26066447	24428974	26652856	24520933	24257348	26007456	25828065	22422005	24011782	24547461	25307963	24967007	25579207	20926793	25499633	24988250	26072252	27444547	27016069	25694897	29552083	27687232	25137517	25396450	23000954	24442748	25565792	26007456	26363480	28842578	28782403	29255540	28122407	26913569	25234908	29026642	27612351	26141901	28843712	29925949	29748877	30285686	30322249	26007456	26051394
C40:6 PE	49211054	49509445	39687978	39039511	40313362	38708179	39976811	48764866	49835384	48961572	45752507	49588273	40888107	42996091	43239328	42301332	44946709	45394933	50109154	44530497	54211723	52171609	51526919	46603628	48324034	51371055	49211054	48571044	49392528	51102173	48636508	51621069	50624504	52566360	42707707	50627457	50133041	52458331	50981181	47542754	49612701	48428389	49448235	52651251	49004975	48647985	49205472	50477759	49211054	49654425	50413694	48261566	51779596	52625875	51726547	49035799	53961838	55203607	53074886	50218504	39927682	40201014	39841730	40233191	49211054	49401897
C34:3 PE plasmalogen	759427	765939	1287639	1234673	1196000	1149677	891664	789709	819111	811612	910032	828298	890634	819657	847984	739273	689198	827438	772622	794618	661516	792989	675439	792936	715319	726125	759427	780062	794525	851989	781830	768918	719953	688419	557232	793529	748872	699193	836121	756157	762820	817845	778151	698397	620142	603723	702990	667451	759427	793925	826332	825661	822367	701054	698737	745218	746449	650448	668201	801891	1218566	1176749	1250609	1278006	759427	787603
C34:2 PE plasmalogen	366648	361675	559131	544159	578124	546775	440952	340909	348108	339557	411206	296187	361215	355092	375046	347389	330315	376733	381915	407528	317385	390977	341940	381965	334492	351834	366648	368680	365092	397203	355219	362625	359281	337421	256422	386961	347832	370487	384087	370718	341235	410978	375966	331572	328376	307873	300963	338455	366648	373486	412003	404108	438964	370826	371402	371360	368815	370605	361936	462856	483170	491193	574909	620321	366648	370237
C36:5 PE plasmalogen	10048873	10036393	11267334	11038297	10980076	10693514	12114257	9015175	9589965	9481458	9835522	8831953	12662629	10819234	11892063	10006597	10058798	11162431	9175271	10580014	8998790	8974732	9208597	10338492	10255087	8893982	10048873	9999351	9401369	9862785	9979627	9458671	10012920	8766536	8419348	9252821	8708088	8830610	10966580	10802964	10477959	10813000	10980267	9758946	10180966	9391051	9565781	9776762	10048873	10024200	10622670	11120246	10147886	10150119	10034460	10571491	10557800	9860857	10596411	11214149	11848477	11900843	10741475	10830525	10048873	10136776
C38:7 PE plasmalogen	196979619	203198990	177132753	177390776	167023469	159809940	166740558	193042072	193454572	205120750	195496008	191641666	192264039	176154653	187182787	173783636	191301966	201675353	168442665	176248403	198653242	180386936	196222857	190017810	214390759	190016033	196979619	201588651	211051213	197233837	202276289	207120430	198710919	204332971	174970937	200949016	192101107	184265061	214948526	196291982	228653396	194441966	207655354	210632907	215434814	220971629	213631690	207417755	196979619	198420909	196021024	206002549	192819600	207651562	207516457	211210196	208228799	212051127	221315554	201760371	196129453	195378392	160523789	163360851	196979619	200645054
C38:6 PE plasmalogen	14922153	15243817	16405499	16441146	16481075	15936851	17009961	14223309	14855686	15447753	15458280	14201698	18231229	16125489	16432255	14980741	15216522	15880854	13647193	15455594	14339159	13794392	14546320	14902214	15890162	14297686	14922153	15225883	14763758	14980672	15345343	14508723	14994950	13892398	12011695	13797954	13002240	12642014	16192207	15609078	15873925	15189821	16160538	14686324	15597696	14123792	14379439	14990290	14922153	14870305	14702959	15872557	14453105	15188555	14540640	15410555	14972234	14849579	15918090	15256092	18363800	17992089	15862561	15949632	14922153	15234952
C38:5 PE plasmalogen	11876771	12255630	14947610	14978700	16839655	16417859	14884382	11516495	11892326	11957016	12372433	10659552	13672980	13214946	13665686	12494034	10710511	11910940	11379299	12236355	11190885	11640465	11540074	11764093	11149965	11415129	11876771	12099934	11275908	12480665	12473563	11568542	12037997	10939972	8193302	11058664	10517246	11404264	12480642	13234946	11646706	12799898	12743082	12149780	11551901	10370971	10838867	11883178	11876771	11940615	12700399	12755063	12722784	11975940	11755559	11377547	12422840	12218404	12012000	14185071	14767231	14603367	15603052	15925499	11876771	12260864
C40:7 PE plasmalogen	20382440	21052944	23029274	22805048	24067817	23912225	18703831	20530646	21372321	21818133	20274104	20604789	19031586	19218996	19726807	18518569	17527673	18443996	18966886	18454630	21051464	20041121	20909224	18667361	19997196	21806342	20382440	20903168	20269572	21853461	22214699	20904798	20329735	21450039	15222458	20671286	19662012	21258663	21024024	21477195	21679365	20580415	20474443	22527047	20726900	19277264	21117410	21160971	20382440	20866418	20566812	20407469	21237849	21657832	21216180	19363278	22550791	22458581	22595967	22996170	23647685	23110371	22632955	23310578	20382440	21132822
C36:2 PS plasmalogen	36646	34098	103081	110455	60639	49203	25437	28607	45160	30061	28334	80952	24467	28418	27238	18415	47641	52202	38100	42225	63885	46757	29371	50508	35423	42800	36646	43174	45245	33993	20368	17640	63543	72904	59215	53693	55510	19906	50272	42892	59173	25535	11613	40665	35756	16151	38589	36129	36646	35796	31289	42088	36262	34585	26642	46538	27721	25569	50653	21981	213666	217067	56847	54747	36646	34461
C16:1 SM	1022883	1097456	1191883	1259411	974051	991472	908829	1058424	1081623	1112680	946008	1110528	1263288	1026669	860630	722390	1183299	1095237	375944	872297	1133861	897392	1109616	866874	1152174	973004	1022883	1014025	878042	873403	961175	795300	875254	818704	828886	670094	802286	643814	1109496	1044710	1251386	778583	901785	916944	1317898	958309	1006175	1030956	1022883	999102	948523	1238479	992202	1264618	1141951	1224597	1172880	1098175	1296017	936597	1622465	1504150	734347	770167	1022883	1026605
C16:0 SM	24990366	26609108	27301754	29823265	25021030	25049772	24252111	22897317	25103047	24884609	22674941	22992897	28851328	25246859	21703266	19046224	24009158	24832584	7857190	21603732	24624798	24048958	27110434	19685195	26036551	22535554	24990366	24428875	22507328	22670498	23651869	21922434	23683664	20888010	13664084	16945361	18606082	17700728	28564202	27209628	32111022	21706792	25047652	25105000	31078388	25988689	26536044	28061460	24990366	24157137	23923911	28441725	24627329	32400103	29715048	30265259	31188207	30753955	35177410	27072125	36240979	34609081	19488868	20580102	24990366	24481134
C18:1 SM	4048496	4011745	4146998	3985175	3424794	3530745	3855500	4326021	4128875	4077311	3922175	4175235	4653412	4444022	3641783	3318033	4530971	4382421	3842749	4121298	4176681	4194891	4374394	3835373	4471493	3986684	4048496	4084040	3170302	3354956	3590222	3114458	3568680	3410720	3145991	3747882	3537516	3093307	4272086	3945847	4511034	3343154	3518490	3470432	5009451	3602050	4146746	4134654	4048496	3849659	4314722	5085921	4301253	4931760	4871411	5011849	4706266	4913674	4884588	3873550	5290618	5343107	2894528	2944147	4048496	3817479
C18:0 SM	19088404	18983171	26376207	25222502	23008058	24002968	19308430	17673316	16639542	16480462	17502317	17061248	19275827	19516679	18021055	16543635	16923036	19582917	18720357	19195193	17589013	22753699	20784389	17611985	19745278	17062766	19088404	19181319	17375461	17551903	18710497	16966211	19672608	17412331	7836138	20621579	16675936	17693970	23367898	22303991	23663836	18932327	19161328	19477457	21590847	19541617	20503115	21563951	19088404	18476114	21464775	22382851	21424428	23881415	24074364	24157568	25865564	28191818	28698336	25225917	29504844	29792221	21539750	21490905	19088404	17810312
C20:0 SM	7092557	7193333	11450743	11439533	11295986	11596063	7203600	6536152	6369534	5482138	7113696	6508411	6756787	7055131	7081582	5689394	6259071	7130664	7351253	7540370	7472987	9048268	8775545	7530593	7904608	7668645	7092557	7114455	7941343	8837034	6931584	7060014	8127857	8143078	2918120	9378775	7662621	8737737	9952657	8909871	8529773	7449911	7410793	7895069	6881467	6717011	7967860	7898404	7092557	7247165	9001327	9105558	9146548	9728259	9933810	9842927	11332052	12033551	13161223	11900070	11669729	11692320	11262918	10681842	7092557	7142738
C22:0 SM	4372128	4262449	6791083	6766499	7213980	7059198	4120063	3719665	3432532	3098018	4331309	4133392	3644375	3870283	4782992	3588540	4023367	4582061	5283168	4821006	5357648	6012049	5724090	4913463	5356101	5811936	4372128	4591907	6409104	7266638	5237466	5341536	5688261	6055014	2172030	7073050	5611008	6919045	5888476	5440368	4804893	4816725	4765896	5542172	4208298	4218419	4839398	5172526	4372128	4461089	5443963	5334650	5287655	6053559	5960490	5938621	7092538	8133949	8769103	7625563	6016490	5856255	7239838	7303070	4372128	4386382
sphingosine	993919	986144	661524	677585	627596	678386	647188	668533	699666	791755	671157	819888	1049683	868903	636451	603040	1173442	791353	816791	713729	1069421	670253	776404	722725	847635	835926	993919	981313	930650	731945	601843	572976	1069081	861407	861823	653216	1011871	750301	934886	941168	848273	776143	653396	671663	817215	1273060	785552	794145	993919	996637	874809	717880	724076	840451	889084	1196800	1103119	771040	1043737	687957	950072	970876	564644	582353	993919	1025881
phytosphingosine	112889	112305	43157	39906	36633	33867	44770	50537	55743	86605	53649	59930	65838	48301	46595	37528	90811	73581	74528	70986	90961	79564	88767	56365	83045	80659	112889	112850	45462	49155	49408	37689	50128	74166	68276	63918	61947	62573	56386	50201	60434	43050	44954	49943	53202	54468	50985	49926	112889	120785	65299	71349	67176	83161	84712	94524	90973	77167	98355	70552	61911	60340	32150	31648	112889	117660
sphinganine	345262	349346	210750	209197	254145	270133	184639	204833	198675	230007	205460	239572	378531	285502	192323	184849	464904	235428	333094	261249	349918	173384	227416	248031	230984	221205	345262	343330	274733	214431	164989	164542	279292	258569	245043	215588	291592	220188	280528	267157	264314	250406	205512	202036	250824	437761	214096	254277	345262	354268	293170	197240	248147	207262	275744	342470	313138	222600	364912	195617	277662	285177	228021	227654	345262	353527
C16:0 Ceramide (d18:1)	548582	580676	618085	600999	533808	530960	476139	363291	368584	375412	463050	427121	526260	424896	482761	355478	401966	473480	207167	556544	558008	513530	514846	394670	556971	459755	548582	557210	608399	610439	571479	577857	567425	418071	273235	415687	424065	458838	637861	591068	491333	576921	544751	613980	495827	576162	503428	525218	548582	577752	524020	490098	543082	519799	611056	580525	550972	553825	665721	576837	459010	494846	435626	463713	548582	500386
C24:1 ceramide (d18:1)	1405051	1458247	1502097	1450852	1741313	1728023	1195876	910032	1177738	1379035	1553513	1477686	1608516	1435674	1400681	1064636	1224000	1460096	1681021	1481346	2110044	1613965	1605748	1585521	1672451	1821837	1405051	1538107	1959211	2010357	1848159	1676331	1835450	1729219	1053158	1981619	1812722	1769546	1737644	1766446	1232176	1418206	1486972	1951882	1380290	1203699	1444032	1610085	1405051	1508979	1758128	1536115	1749130	1811615	1847246	1662812	1811807	1516873	1870520	1446662	1211002	1254871	1201833	1174242	1405051	1234760
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
phenylalanine-d8	C9H3D8NO2	174.1355	173.1292	phenylalanine-d8 [iSTD]	6.7
valine-d8	C5H3D8NO2	126.1366	125.1292	valine-d8 [iSTD]	7.41
1-methyladenosine	C11H15N5O4	282.119	281.1124	1-Methyladenosine	7.67
1-methylhistamine	C6H11N3	126.1027	125.0953	1-Methylhistamine	9.8
1-methylnicotinamide	C7H9N2O	137.0706	137.0715	1-Methyl nicotinamide	8.23
21-deoxycortisol	C21H30O4	347.2207	346.2144	21-Deoxycortisol	2.02
2-aminoheptanoate	C7H15NO2	146.1171	145.110279	2-Amino-heptanoic acid	6.13
2-aminoisobutyrate	C4H9NO2	104.0707	103.0633	Aminoisobutyric acid	7.63
2'-deoxyadenosine	C10H13N5O3	252.1083	251.1018	Deoxyadenosine	5.21
2'-deoxycytidine	C9H13N3O4	228.0966	227.0906	Deoxycytidine	5.97
3-methylhistidine	C7H11N3O2	170.0915	169.0851	3-Methylhistidine	9.79
4-acetamidobutanoate	C6H11NO3	146.0807	145.0739	4-Acetamidobutanoic acid	3.38
4-guanidinobutanoate	C5H11N3O2	146.0919	145.0851	4-Guanidinobutanoic acid	7.22
5-hydroxytryptophol	C10H11NO2	178.0853	177.079	5-Hydroxytryptophol	1.86
5-methylcytidine	C10H15N3O5	258.1079	257.1012	5-Methylcytidine	5.98
5-methylcytosine	C5H7N3O	126.0663	125.0589	5-Methylcytosine	6.12
7-methylguanine	C6H7N5O	166.0715	165.0651	7-Methylguanine	5.76
acetylcholine	C7H16NO2	146.1171	146.1181	Acetylcholine	7.8
acisoga	C9H16N2O2	185.1272	184.121178	Acisoga	5.68
adenosine	C10H13N5O4	268.1035	267.0968	Adenosine	4.97
ADMA	C8H18N4O2	203.1491	202.143	Dimethylarginine	9.73
ala-ala	C6H12N2O3	161.0914	160.084793	Ala-Ala	8.05
alanine	C3H7NO2	90.0551	89.0477	Alanine	7.76
allantoin	C4H6N4O3	159.0506	158.044	Allantoin	3.6
alpha-glycerophosphocholine	C8H20NO6P	258.1096	257.1028	sn-Glycero-3-phosphocholine	10.37
anserine	C10H16N4O3	241.1286	240.1222	Anserine	10.43
arachidoyl ethanolamide	C22H45NO2	356.3511	355.345	Eicosanoyl-EA	2
arginine	C6H14N4O2	175.118	174.1117	Arginine	9.1
asparagine	C4H8N2O3	133.0607	132.0535	Asparagine	7.85
aspartate	C4H7NO4	134.0446	133.0375	Aspartic acid	7.86
beta-alanine	C3H7NO2	90.0551	89.0477	beta-Alanine	7.97
beta-guanidinopropionate	C4H9N3O2	132.0767	131.0695	3-Guanidinopropanoic acid	7.46
betaine	C5H11NO2	118.0864	117.079	Betaine	8.96
bilirubin	C33H36N4O6	585.2691	584.2635	Bilirubin	1.7
biliverdin	C33H34N4O6	583.2536	582.2478	Biliverdin	1.97
butyrobetaine	C7H15NO2	146.1171	145.1103	3-Dehydroxycarnitine	8.75
carnitine	C7H15NO3	162.1117	161.1052	Carnitine	8.78
C2 carnitine	C9H17NO4	204.1218	203.1158	CAR(2:0)	8.66
C3 carnitine	C10H19NO4	218.1376	217.1314	CAR(3:0)	8.33
C3-DC carnitine	C10H17NO6	248.112	247.1056	CAR(DC3:0)	9.38
C3-DC-CH3 carnitine	C11H19NO6	262.128	261.1212	CAR(DC3:0(2Me))	8.52
C4 carnitine	C11H21NO4	232.1534	231.1471	CAR(4:0)	8
C4-OH carnitine	C11H21NO5	248.1485	247.142	CAR(4:0(OH))	8.85
C5 carnitine	C12H23NO4	246.1692	245.1627	CAR(5:0)	7.79
C5:1 carnitine	C12H21NO4	244.1536	243.1471	CAR(5:1)	7.87
C5-DC carnitine	C12H21NO6	276.1434	275.1369	CAR(DC5:0)	8.33
C6 carnitine	C13H25NO4	260.1851	259.1784	CAR(6:0)	7.53
C7 carnitine	C14H27NO4	274.2007	273.194	CAR(7:0)	7.41
C8 carnitine	C15H29NO4	288.2163	287.2097	CAR(8:0)	7.32
C9 carnitine	C16H31NO4	302.2317	301.2253	CAR(9:0)	7.22
C10 carnitine	C17H33NO4	316.2472	315.241	CAR(10:0)	7.12
C12 carnitine	C19H37NO4	344.2784	343.2723	CAR(12:0)	6.94
C12:1 carnitine	C19H35NO4	342.2628	341.2566	CAR(12:1)	6.99
C14 carnitine	C21H41NO4	372.3096	371.3036	CAR(14:0)	6.79
C14:1 carnitine	C21H39NO4	370.294	369.2879	CAR(14:1)	6.79
C14:2 carnitine	C21H37NO4	368.2784	367.2723	CAR(14:2)	6.85
C16 carnitine	C23H45NO4	400.3409	399.3349	CAR(16:0)	6.67
C16-OH carnitine	C23H45NO5	416.3359	415.3298	CAR(16:0(OH))	7.1
C18 carnitine	C25H49NO4	428.3725	427.3662	CAR(18:0)	6.57
C18:1 carnitine	C25H47NO4	426.3567	425.3505	CAR(18:1)	6.59
C18:1-OH carnitine	C25H47NO5	442.3517	441.3454	CAR(18:1(OH))	7.01
C18:2 carnitine	C25H45NO4	424.3409	423.3349	CAR(18:2)	6.63
C20 carnitine	C27H53NO4	456.4037	455.3975	CAR(20:0)	6.45
C20:4 carnitine	C31H54NO4	448.3408	447.3349	CAR(20:4)	6.53
C26 carnitine	C33H65NO4	540.4991	539.4914	CAR(26:0)	6.24
carnosine	C9H14N4O3	227.1128	226.1066	Carnosine	9.71
cellobiose	C12H22O11	343.1223	342.1162	Maltose	5.9
choline	C5H14NO	104.1071	104.1075	Choline	8.31
citrulline	C6H13N3O3	176.1019	175.0957	Citrulline	8.31
creatine	C4H9N3O2	132.0766	131.0695	Creatine	8.27
creatinine	C4H7N3O	114.0664	113.0589	Creatinine	6.47
cyclohexylamine	C6H13N	100.1121	99.1048	Cyclohexylamine	6.45
cytidine	C9H13N3O5	244.0921	243.0855	Cytidine	5.84
dimethylglycine	C4H9NO2	104.0707	103.0633	Dimethylglycine	8.5
ectoine	C6H10N2O2	143.0811	142.0742	Ectoine	8.89
GABA	C4H9NO2	104.0707	103.0633	gamma-Aminobutyric acid	7.52
glutamate	C5H9NO4	148.0599	147.0532	Glutamic acid	7.55
glutamine	C5H10N2O3	147.0759	146.0691	Glutamine	7.97
glutathione reduced	C10H17N3O6S	308.0903	307.0838	Glutathione	7.79
glycine	C2H5NO2	76.0393	75.032	Glycine	7.86
glycocholate	C26H43NO6	466.3154	465.309	Glycocholic acid	5.23
guanidinoacetate	C3H7N3O2	118.0613	117.0538	Guanidoacetic acid	7.82
guanosine	C10H13N5O5	284.0983	283.0917	Guanosine	5.26
hippurate	C9H9NO3	180.0645	179.0582	Hippuric acid	2.58
histamine	C5H9N3	112.0871	111.0796	Histamine	9.2
histidine	C6H9N3O2	156.0761	155.0695	Histidine	9.29
homoarginine	C7H16N4O2	189.1334	188.1273	Homoarginine	9.15
hydroxyproline	C5H9NO3	132.0655	131.0582	Hydroxyproline	7.84
hypotaurine	C2H7NO2S	110.0272	109.0198	Hypotaurine	7.94
imidazole propionate	C6H8N2O2	141.0655	140.058578	Imidazolepropionic acid	7.43
imidazoleacetate	C5H6N2O2	127.0503	126.0429	Imidazoleacetic acid	8.04
inosine	C10H12N4O5	269.0875	268.0808	Inosine	4.79
isoleucine	C6H13NO2	132.1018	131.0946	Isoleucine	7.08
leucine	C6H13NO2	132.1018	131.0946	Leucine	6.95
linoleoyl ethanolamide	C20H37NO2	324.2888	323.2824	Linoleoyl-EA	2.01
lysine	C6H14N2O2	147.1123	146.1055	Lysine	9.32
methionine	C5H11NO2S	150.0578	149.0511	Methionine	7.01
methionine sulfoxide	C5H11NO3S	166.0526	165.046	Methionine sulfoxide	8.59
methyl N-methylanthranilate	C9H11NO2	166.0854	165.078979	Methyl N-methylanthranilate	2
methylguanidine	C2H7N3	74.0712	73.064	Methylguanidine	6.81
methylimidazoleacetate	C6H8N2O2	141.0656	140.0586	Methylimidazoleacetic acid	8.86
methylthioadenosine	C11H15N5O3S	298.096	297.0896	5'-Methylthioadenosine	4.25
N1-acetylspermidine	C9H21N3O	188.1746	187.1685	N1-Acetylspermidine	9.82
N1-methyl-2-pyridone-5-carboxamide	C7H8N2O2	153.0653	152.0586	N1-Methyl-2-pyridone-5-carboxamide	4.32
N4-acetylcytidine	C11H15N3O6	286.1027	285.0961	N4-Acetylcytidine	4.27
N6,N6,N6-trimethyllysine	C9H20N2O2	189.1586	188.1525	N-6-Trimethyllysine	11.2
N6,N6-dimethyllysine	C8H18N2O2	175.1432	174.136828	N(6),N(6)-Dimethyl-lysine	10.22
N6-acetyllysine	C8H16N2O3	189.1221	188.1161	N6-Acetyllysine	8.35
N6-methyllysine	C7H16N2O2	161.1278	160.1212	N(6)-Methyllysine	9.69
N-acetylalanine	C5H9NO3	132.0655	131.0582	N-Acetylalanine	3.55
N-acetylaspartate	C6H9NO5	176.0545	175.0481	N-Acetylaspartic acid	4.29
N-acetylhistamine	C7H11N3O	154.0968	153.0902	N-Acetylhistamine	7.75
N-acetylhistidine	C8H11N3O3	198.0836	197.08	N-Acetylhistidine	8.33
N-acetylleucine	C8H15NO3	174.1114	173.1052	N-Acetylleucine	2.72
N-acetylmethionine	C7H13NO3S	192.0678	191.0616	N-Acetylmethionine	3.39
N-acetylornithine	C7H14N2O3	175.1067	174.1004	N-Acetylornithine	8.37
N-acetylphenylalanine	C11H13NO3	208.0959	207.0895	N-Acetylphenylalanine	3.02
N-acetylserotonin	C12H14N2O2	219.1117	218.1055	N-Acetylserotonin	2.7
N-alpha-acetylarginine	C8H16N4O3	217.1284	216.1222	N-Acetylarginine	8.14
N-carbamoyl-beta-alanine	C4H8N2O3	133.0607	132.0535	Ureidopropionic acid	4.08
niacinamide	C6H6N2O	123.0555	122.048	Niacinamide	3.78
N-lauroylglycine	C14H27NO3	258.2058	257.199094	N-Lauroylglycine	2.41
N-methylproline	C6H11NO2	130.0862	129.078979	N-Methyl-proline	8.6
NMMA	C7H16N4O2	189.1334	188.1273	Targinine	9.37
ornithine	C5H12N2O2	133.0971	132.0899	Ornithine	9.29
pantothenate	C9H17NO5	220.1168	219.1107	Pantothenic acid	2.97
pantothenol	C9H19NO4	206.1375	205.1314	Pantothenol	3.79
phenylacetylglycine	C10H11NO3	194.0799	193.0739	Phenylacetylglycine	2.69
phenylalanine	C9H11NO2	166.0854	165.079	Phenylalanine	6.69
phosphocholine	C5H14NO4P	184.0723	183.066	Choline phosphate	10.79
pipecolate	C6H11NO2	130.0862	129.079	Pipecolic acid	7.97
pro-gly	C7H12N2O3	173.0911	172.084793	Pro-Gly	8.44
proline	C5H9NO2	116.0709	115.0633	Proline	8.09
proline-betaine	C7H13NO2	144.1015	143.0946	Proline betaine	9.24
putrescine	C4H12N2	89.1073	88.1	Putrescine	9.38
ribothymidine	C10H14N2O6	259.093	258.0852	Ribothymidine	2.43
S-adenosylhomocysteine	C14H20N6O5S	385.1278	384.1216	S-Adenosylhomocysteine	8.08
S-adenosylmethionine	C15H23N6O5S	399.1433	399.1451	S-Adenosylmethionine	10.1
SDMA	C8H18N4O2	203.1491	202.143	Symmetric dimethyl-arginine	9.62
serine	C3H7NO3	106.0501	105.0426	Serine	7.61
serotonin	C10H12N2O	177.1012	176.095	Serotonin	6.29
S-methyl-L-cysteine-S-oxide	C4H9NO3S	152.038	151.030316	S-Methylcysteine S-oxide	8.55
taurine	C2H7NO3S	126.0221	125.0147	Taurine	6.02
thiamine	C12H17N4OS	265.1112	265.1123	Thiamine	9.77
threonine	C4H9NO3	120.0658	119.0582	Threonine	7.53
trigonelline	C7H7NO2	138.0547	137.0477	Trigonelline	8.86
trimethylamine-N-oxide	C3H9NO	76.0757	75.0684	Trimethylamine N-oxide	8.11
tryptophan	C11H12N2O2	205.0959	204.0899	Tryptophan	6.47
tyrosine	C9H11NO3	182.08	181.0739	Tyrosine	6.77
urate	C5H4N4O3	169.0348	168.0283	Uric acid	4.16
urocanate	C6H6N2O2	139.0499	138.0429	Urocanic acid	4.57
valine	C5H11NO2	118.0865	117.079	Valine	7.39
xanthine	C5H4N4O2	153.0401	152.0334	Xanthine	3.67
xanthosine	C10H12N4O6	285.0823	284.0757	Xanthosine	4.29
C14:0 LPC	C22H46NO7P	468.3075	467.3012	LPC(14:0)	7.86
C16:1 LPC	C24H48NO7P	494.3235	493.3168	LPC(16:1)	7.77
C16:0 LPC	C24H50NO7P	496.339	495.3325	LPC(0:0/16:0)	7.73
C18:3 LPC	C26H48NO7P	518.3212	517.3168	LPC(18:3)	7.74
C18:2 LPC	C26H50NO7P	520.3393	519.3325	LPC(0:0/18:2)	7.71
C18:1 LPC	C26H52NO7P	522.3552	521.3481	LPC(18:1)	7.66
C18:0 LPC	C26H54NO7P	524.3707	523.3638	LPC(18:0)	7.61
C20:5 LPC	C28H48NO7P	542.3215	541.3168	LPC(20:5)	7.72
C20:4 LPC A	C28H50NO7P	544.3398	543.3325	LPC(20:4)_hp_a	7.51
C20:4 LPC B	C28H50NO7P	544.3397	543.3325	LPC(20:4)_hp_b	7.64
C20:3 LPC	C28H52NO7P	546.3511	545.3481	LPC(20:3)	7.48
C22:6 LPC	C30H50NO7P	568.3381	567.3325	LPC(22:6)	7.49
C22:5 LPC	C30H52NO7P	570.3543	569.3481	LPC(22:5)	7.48
C22:4 LPC	C30H54NO7P	572.3686	571.3638	LPC(22:4)	7.44
C24:0 LPC	C32H66NO7P	608.4637	607.4577	LPC(24:0)	7.32
C18:1 LPC plasmalogen	C26H54NO6P	508.3756	507.3689	LPC(P-18:0)/LPC(O-18:1)	7.76
C16:0 LPE	C21H44NO7P	454.2919	453.2855	LPE(16:0)	6.25
C18:3 LPE	C23H42NO7P	476.274	475.2699	LPE(18:3)	6.25
C18:2 LPE	C23H44NO7P	478.2923	477.2855	LPE(18:2)	6.23
C18:1 LPE	C23H46NO7P	480.3079	479.3012	LPE(18:1)	6.2
C18:0 LPE A	C23H48NO7P	482.3234	481.3168	LPE(18:0)_hp_a	6.17
C18:0 LPE B	C23H48NO7P	482.3234	481.3168	LPE(18:0)_hp_b	7.78
C20:4 LPE	C25H44NO7P	502.2923	501.2855	LPE(20:4)	6.1
C20:0 LPE	C25H52NO7P	510.3548	509.3481	LPE(20:0)	7.67
C22:6 LPE	C27H44NO7P	526.2925	525.2855	LPE(22:6)	6.08
C30:0 PC	C38H76NO8P	706.5338	705.5309	PC(30:0)	6.69
C32:2 PC	C40H76NO8P	730.5345	729.5309	PC(32:2)	6.66
C34:4 PC	C42H76NO8P	754.5316	753.5309	PC(34:4)	6.59
C34:3 PC	C42H78NO8P	756.5457	755.5465	PC(34:3)	6.68
C36:2 PC	C44H84NO8P	786.5947	785.5935	PC(36:2)	6.58
C34:3 PC plasmalogen	C42H80NO7P	742.5707	741.5672	PC(P-34:2)/PC(O-34:3)	6.58
C36:5 PC plasmalogen	C44H80NO7P	766.5684	765.5672	PC(P-36:4)/PC(O-36:5)	6.48
C36:3 PE plasmalogen	C41H78NO7P	728.555	727.5516	PE(P-36:2)/PE(O-36:3)	5.41
C38:7 PC plasmalogen	C46H80NO7P	790.5693	789.5672	PC(P-38:6)/PC(O-38:7)	6.44
C38:6 PC plasmalogen	C46H82NO7P	792.584	791.5829	PC(P-38:5)/PC(O-38:6)	6.43
C34:2 PE	C39H74NO8P	716.5184	715.5152	PE(34:2)	5.47
C34:0 PE	C39H78NO8P	720.5498	719.5465	PE(34:0)	6.68
C36:4 PE	C41H74NO8P	740.5188	739.5152	PE(36:4)	5.41
C36:2 PE	C41H78NO8P	744.55	743.5465	PE(36:2)	5.44
C38:6 PE	C43H74NO8P	764.5165	763.5152	PE(38:6)	5.4
C38:4 PE	C43H78NO8P	768.5476	767.5465	PE(38:4)	5.38
C40:6 PE	C45H78NO8P	792.5479	791.5465	PE(40:6)	5.36
C34:3 PE plasmalogen	C39H74NO7P	700.523	699.5203	PE(P-34:2)/PE(O-34:3)	5.43
C34:2 PE plasmalogen	C39H76NO7P	702.5383	701.5359	PE(P-34:1)/PE(O-34:2)	5.43
C36:5 PE plasmalogen	C41H74NO7P	724.5234	723.5203	PE(P-36:4)/PE(O-36:5)	5.36
C38:7 PE plasmalogen	C43H74NO7P	748.5214	747.5203	PE(P-38:6)/PE(O-38:7)	5.33
C38:6 PE plasmalogen	C43H76NO7P	750.5363	749.5359	PE(P-38:5)/PE(O-38:6)	5.33
C38:5 PE plasmalogen	C43H78NO7P	752.5521	751.5516	PE(P-38:4)/PE(O-38:5)	5.32
C40:7 PE plasmalogen	C45H78NO7P	776.5523	775.5516	PE(P-40:6)/PE(O-40:7)	5.3
C36:2 PS plasmalogen	C42H80NO9P	774.5588	773.5571	PS(P-36:1)/PS(O-36:2)	6.69
C16:1 SM	C39H77N2O6P	701.5547	700.5519	SM(d18:1/16:1)	7.2
C16:0 SM	C39H79N2O6P	703.5702	702.5676	SM(d18:1/16:0)	7.19
C18:1 SM	C41H81N2O6P	729.5866	728.5832	SM(d18:1/18:1)	7.12
C18:0 SM	C41H83N2O6P	731.6021	730.5989	SM(d18:1/18:0)	7.12
C20:0 SM	C43H87N2O6P	759.631	758.6302	SM(d18:1/20:0)	7.04
C22:0 SM	C45H91N2O6P	787.6625	786.6615	SM(d18:1/22:0)	6.99
sphingosine	C18H37NO2	300.2888	299.2824	Sphingosine	5.78
phytosphingosine	C18H39NO3	318.2993	317.293	Phytosphingosine	5.89
sphinganine	C18H39NO2	302.3044	301.2981	Sphinganine	5.8
C16:0 Ceramide (d18:1)	C34H67NO3	538.5193	537.5121	Cer(d18:1/16:0)	1.87
C24:1 ceramide (d18:1)	C42H83NO3	648.6258	649.6373	Cer(d18:0/24:1)	1.82
METABOLITES_END
#END